Phosprof

Axitinib

Information: Axitinib is a multi-target inhibitor of VEGFR1, VEGFR2, VEGFR3, PDGFRβ and c-Kit with IC50 of 0.1 nM, 0.2 nM, 0.1-0.3 nM, 1.6 nM and 1.7 nM, respectively.

Target: c-Kit,PDGFR,VEGFR

Pathway: Protein Tyrosine Kinase

Formula: C22H18N4OS

CAS Number: 319460-85-0

SMILES: CNC(=O)C1=CC=CC=C1SC1=CC2=C(C=C1)C(\C=C\C1=CC=CC=N1)=NN2 |c:6,8,14,16,24,26,28,t:4,12,22|

Bosutinib (SKI-606)

Information: Bosutinib (SKI-606) is a novel, dual Src/Abl inhibitor with IC50 of 1.2 nM and 1 nM, respectively.

Target: Src

Pathway: Angiogenesis

Formula: C26H29Cl2N5O3

CAS Number: 380843-75-4

SMILES: COC1=C(Cl)C=C(Cl)C(NC2=C(C=NC3=CC(OCCCN4CCN(C)CC4)=C(OC)C=C23)C#N)=C1 |c:2,12,37,t:5,10,14,28,32|

PD0325901

Information: PD0325901 (PD325901) is selective and non ATP-competitive MEK inhibitor with IC50 of 0.33 nM, roughly 500-fold more potent than CI-1040 on phosphorylation of ERK1 and ERK2. Phase 1/2.

Target: MEK

Pathway: DNA Damage

Formula: C16H14F3IN2O4

CAS Number: 391210-10-9

SMILES: OC[C@@H](O)CONC(=O)C1=C(NC2=CC=C(I)C=C2F)C(F)=C(F)C=C1 |r,c:9,17,25,t:12,14,22|

Rapamycin (Sirolimus)

Information: Rapamycin (Sirolimus, AY-22989, WY-090217) is a specific mTOR inhibitor with IC50 of ~0.1 nM.

Target: Autophagy,mTOR

Pathway: DNA Damage

Formula: C51H79NO13

CAS Number: 53123-88-9

SMILES: CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1O |r,c:14,33,t:29,31|

Sunitinib Malate

Information: Sunitinib Malate is a multi-targeted RTK inhibitor targeting VEGFR2 (Flk-1) and PDGFRβ with IC50 of 80 nM and 2 nM, and also inhibits c-Kit.

Target: c-Kit,PDGFR,VEGFR

Pathway: Microbiology

Formula: C26H33FN4O7

CAS Number: 341031-54-7

SMILES: O[C@@H](CC(O)=O)C(O)=O.CCN(CC)CCNC(=O)C1=C(C)NC(\C=C2/C(=O)NC3=CC=C(F)C=C23)=C1C |r,c:18,36,t:28,30,33|

Temsirolimus (CCI-779, NSC 683864)

Information: Temsirolimus (CCI-779) is a specific mTOR inhibitor with IC50 of 1.76 μM.

Target: mTOR

Pathway: Neuronal Signaling

Formula: C56H87NO16

CAS Number: 162635-04-3

SMILES: CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1OC(=O)C(C)(CO)CO |r,c:14,33,t:29,31|

Crizotinib (PF-02341066)

Information: PF-2341066 (Crizotinib) is a potent inhibitor of c-Met and ALK with IC50 of 11 nM and 24 nM, respectivley.

Target: ALK,c-Met

Pathway: Others

Formula: C21H22Cl2FN5O

CAS Number: 877399-52-5, 877399-53-6 (acetate)

SMILES: C[C@@H](OC1=C(N)N=CC(=C1)C1=CN(N=C1)C1CCNCC1)C1=C(Cl)C=CC(F)=C1Cl |r,c:3,6,8,14,24,27,30,t:11|

SU11274

Information: SU11274 is a selective Met inhibitor with IC50 of 10 nM, no effects on PGDFRβ, EGFR or Tie2.

Target: c-Met

Pathway: Neuronal Signaling

Formula: C28H30ClN5O4S

CAS Number: 658084-23-2

SMILES: CN(C1=CC(Cl)=CC=C1)S(=O)(=O)C1=CC2=C(NC(=O)\C2=C/C2=C(C)C(C(=O)N3CCN(C)CC3)=C(C)N2)C=C1 |c:5,7,23,41,t:2,13,15,36|

PF-04217903

Information: PF-04217903 is a selective ATP-competitive c-Met inhibitor with IC50 of 4.8 nM, susceptible to oncogenic mutations (no activity to Y1230C mutant). Phase 1.

Target: c-Met

Pathway: Others

Formula: C19H16N8O

CAS Number: 956905-27-4

SMILES: OCCN1C=C(C=N1)C1=NC2=C(N=NN2CC2=CC3=CC=CN=C3C=C2)N=C1 |c:4,6,13,22,24,27,30,t:9,11,18,20|

Palbociclib (PD-0332991) HCl

Information: PD0332991 is a highly selective inhibitor of CDK4/6 with IC50 of 11 nM/16 nM. It shows no activity against CDK1/2/5, EGFR, FGFR, PDGFR, InsR, etc. Phase 2/3.

Target: CDK

Pathway: Others

Formula: C24H30ClN7O2

CAS Number: 827022-32-2, 571190-30-2 (free base)

SMILES: Cl.CC(=O)C1=C(C)C2=CN=C(NC3=NC=C(C=C3)N3CCNCC3)N=C2N(C2CCCC2)C1=O |c:3,13,15,25,t:6,8,11|

CP-724714

Information: CP-724,714 is a potent, selective inhibitor of HER2/ErbB2 with IC50 of 10 nM, >640-fold selectivity against EGFR, InsR, IRG-1R, PDGFR, VEGFR2, Abl, Src, c-Met etc. Phase 2.

Target: EGFR,HER2

Pathway: Protein Tyrosine Kinase

Formula: C27H27N5O3

CAS Number: 537705-08-1

SMILES: COCC(=O)NC\C=C\C1=CC=C2N=CN=C(NC3=CC=C(OC4=CC=C(C)N=C4)C(C)=C3)C2=C1 |c:13,28,32,36,t:9,11,15,18,20,23,25|

PD98059

Information: PD98059 is a non-ATP competitive MEK inhibitor with IC50 of 2 μM, specifically inhibits MEK-1-mediated activation of MAPK; does not directly inhibit ERK1 or ERK2.

Target: MEK

Pathway: MAPK

Formula: C16H13NO3

CAS Number: 167869-21-8

SMILES: COC1=C(N)C(=CC=C1)C1=CC(=O)C2=CC=CC=C2O1 |c:2,5,7,16,18,t:10,14|

Exemestane

Information: Exemestane is an aromatase inhibitor, inhibits human placental and rat ovarian aromatase with IC50 of 30 nM and 40 nM, respectively.

Target: Aromatase

Pathway: Endocrinology & Hormones

Formula: C20H24O2

CAS Number: 107868-30-4

SMILES: [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC(=C)C2=CC(=O)C=C[C@]12C |r,c:23,t:19|

Irinotecan

Information: Irinotecan is a topoisomerase I inhibitor for LoVo cells and HT-29 cells with IC50 of 15.8 μM and 5.17 μM, respectively.

Target: Topoisomerase

Pathway: DNA Damage

Formula: C33H38N4O6

CAS Number: 97682-44-5

SMILES: CCC1=C2C=C(OC(=O)N3CCC(CC3)N3CCCCC3)C=CC2=NC2=C1CN1C2=CC2=C(COC(=O)[C@]2(O)CC)C1=O |r,c:2,23,26,28,t:4,34,36|

Cladribine

Information: Cladribine is an adenosine deaminase inhibitor for U266, RPMI8226, and MM1.S cells with IC50 of approximately 2.43 μM, 0.75 μM, and 0.18 μM, respectively.

Target: DNA/RNA Synthesis

Pathway: DNA Damage

Formula: C10H12ClN5O3

CAS Number: 4291-63-8

SMILES: NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](CO)O1 |r,c:4,6,9,t:1|

Doxorubicin (Adriamycin) HCl

Information: Doxorubicin (Adriamycin) is an antibiotic agent that inhibits DNA topoisomerase II and induces DNA damage and apoptosis.

Target: Autophagy,Topoisomerase

Pathway: DNA Damage

Formula: C27H30ClNO11

CAS Number: 25316-40-9

SMILES: Cl.[H][C@@]1(C[C@H](N)[C@H](O)[C@H](C)O1)O[C@H]1C[C@@](O)(CC2=C(O)C3=C(C(=O)C4=C(OC)C=CC=C4C3=O)C(O)=C12)C(=O)CO |r,c:17,24,28,30,t:20,37|

PFI-1 (PF-6405761)

Information: PFI-1 is a selective BET (bromodomain-containing protein) inhibitor for BRD4 with IC50 of 0.22 μM.

Target: Epigenetic Reader Domain

Pathway: Epigenetics

Formula: C16H17N3O4S

CAS Number: 1403764-72-6

SMILES: COC1=C(C=CC=C1)S(=O)(=O)NC1=CC=C2NC(=O)N(C)CC2=C1 |c:4,6,24,t:2,13,15|

Letrozole

Information: Letrozole is a third generation inhibitor of aromatase with IC50 of 0.07-20 nM.

Target: Aromatase

Pathway: Endocrinology & Hormones

Formula: C17H11N5

CAS Number: 112809-51-5

SMILES: N#CC1=CC=C(C=C1)C(N1C=NC=N1)C1=CC=C(C=C1)C#N |c:4,6,11,13,18,20,t:2,16|

Celecoxib

Information: Celecoxib is a selective COX-2 inhibitor with IC50 of 40 nM.

Target: COX

Pathway: Neuronal Signaling

Formula: C17H14F3N3O2S

CAS Number: 169590-42-5

SMILES: CC1=CC=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S(N)(=O)=O)C(F)(F)F |c:3,5,10,16,18,t:1,8,14|

PD173074

Information: PD173074 is a potent FGFR1 inhibitor with IC50 of ~25 nM and also inhibits VEGFR2 with IC50 of 100-200 nM, ~1000-fold selective for FGFR1 than PDGFR and c-Src.

Target: FGFR,VEGFR

Pathway: Angiogenesis

Formula: C28H41N7O3

CAS Number: 219580-11-7

SMILES: CCN(CC)CCCCNC1=NC=C2C=C(C(NC(=O)NC(C)(C)C)=NC2=N1)C1=CC(OC)=CC(OC)=C1 |c:14,24,27,34,38,t:10,12,30|

Asenapine maleate

Information: Asenapine inhibits adrenergic receptor (α1, α2A, α2B, α2C) with Ki of 0.25-1.2 nM and also inhibits 5-HT receptor (1A, 1B, 2A, 2B, 2C, 5A, 6, 7) with Ki of 0.03-4.0 nM.

Target: 5-HT Receptor,Adrenergic Receptor

Pathway: Neuronal Signaling

Formula: C21H20ClNO5

CAS Number: 65576-45-6, 135883-08-8 (Maleic acid)

SMILES: OC(=O)\C=C/C(O)=O.[H][C@]12CN(C)C[C@]1([H])C1=C(OC3=C2C=CC=C3)C=CC(Cl)=C1 |r,c:16,19,22,24,27,30|

Benazepril HCl

Information: Benazepril is a medication used to treat high blood pressure.

Target: RAAS

Pathway: Endocrinology & Hormones

Formula: C24H29ClN2O5

CAS Number: 86541-74-4

SMILES: Cl.CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]1CCC2=C(C=CC=C2)N(CC(O)=O)C1=O |r,c:10,12,21,23,t:8,19|

Cetirizine DiHCl

Information: Cetirizine DiHCl is an antihistamine.

Target: Histamine Receptor

Pathway: Neuronal Signaling

Formula: C21H27Cl3N2O3

CAS Number: 83881-52-1

SMILES: Cl.Cl.OC(=O)COCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1 |c:17,19,27,t:15,22,24|

Cilostazol

Information: Cilostazol is a potent cyclic nucleotide phosphodiesterase type 3 (PDE3) inhibitor with IC50 of 0.2 μM and inhibitor of adenosine uptake.

Target: PDE

Pathway: Metabolism

Formula: C20H27N5O2

CAS Number: 73963-72-1

SMILES: O=C1CCC2=C(N1)C=CC(OCCCCC1=NN=NN1C1CCCCC1)=C2 |c:4,8,18,28,t:16|

Doxazosin Mesylate

Information: Doxazosin mesylate is an alpha-1 adrenergic receptor blocker.

Target: Adrenergic Receptor

Pathway: Neuronal Signaling

Formula: C24H29N5O8S

CAS Number: 77883-43-3

SMILES: CS(O)(=O)=O.COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N1CCN(CC1)C(=O)C1COC2=C(O1)C=CC=C2 |c:6,13,15,18,33,37,39,t:10|

Etodolac

Information: Etodolac (Lodine) is a COX inhibitor with an IC50 of 53.5 nM.

Target: COX

Pathway: Neuronal Signaling

Formula: C17H21NO3

CAS Number: 41340-25-4

SMILES: CCC1=CC=CC2=C1NC1=C2CCO[C@]1(CC)CC(O)=O |r,c:4,6,10,t:2|

Fluconazole

Information: Fluconazole is a triazole antifungal drug used in the treatment and prevention of superficial and systemic fungal infections.

Target: P450 (e.g. CYP17)

Pathway: Others

Formula: C13H12F2N6O

CAS Number: 86386-73-4

SMILES: OC(CN1C=NC=N1)(CN1C=NC=N1)C1=C(F)C=C(F)C=C1 |c:4,6,11,13,16,22,t:19|

Gabapentin HCl

Information: Gabapentin HCl is a GABA analogue, used to treat seizures and neuropathic pain.

Target: GABA Receptor

Pathway: Neuronal Signaling

Formula: C9H18ClNO2

CAS Number: 60142-95-2

SMILES: Cl.NCC1(CC(O)=O)CCCCC1

Lansoprazole

Information: Lansoprazole is a proton-pump inhibitor (PPI) which prevents the stomach from producing gastric acid.

Target: Proton Pump

Pathway: Transmembrane Transporters

Formula: C16H14F3N3O2S

CAS Number: 103577-45-3

SMILES: CC1=C(OCC(F)(F)F)C=CN=C1CS(=O)C1=NC2=CC=CC=C2N1 |c:1,9,11,21,23,t:17,19|

Tigecycline

Information: Tigecycline is bacteriostatic and is a protein synthesis inhibitor by binding to the 30S ribosomal subunit of bacteria and thereby blocking entry of Aminoacyl-tRNA into the A site of the ribosome during prokaryotic translation.

Target: Antifection

Pathway: Others

Formula: C29H39N5O8

CAS Number: 220620-09-7

SMILES: [H][C@@]12CC3=C(C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2)C(O)=C(NC(=O)CNC(C)(C)C)C=C3N(C)C |r,c:3,42,t:8,18,31|

Linezolid

Information: Linezolid is a synthetic antibiotic used for the treatment of serious infections.

Target: Antifection

Pathway: Others

Formula: C16H20FN3O4

CAS Number: 165800-03-3

SMILES: CC(=O)NC[C@H]1CN(C(=O)O1)C1=CC=C(N2CCOCC2)C(F)=C1 |r,c:24,t:12,14|

Sildenafil Citrate

Information: Sildenafil, a selective inhibitor of cyclic guanosine monophosphate (cGMP)-specific phosphodiesterase type 5 (PDE5), is a well-tolerated and highly effective treatment for erectile dysfunction.

Target: PDE

Pathway: Metabolism

Formula: C28H38N6O11S

CAS Number: 171599-83-0

SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O.CCCC1=NN(C)C2=C1N=C(NC2=O)C1=CC(=CC=C1OCC)S(=O)(=O)N1CCN(C)CC1 |c:19,22,30,32,t:15,28|

Varenicline Tartrate

Information: Varenicline Tartrate is a nicotinic AChR partial agonist, used to treat nicotine addiction.

Target: AChR

Pathway: Neuronal Signaling

Formula: C17H19N3O6

CAS Number: 375815-87-5

SMILES: O[C@H]([C@@H](O)C(O)=O)C(O)=O.C1C2CNCC1C1=C2C=C2N=CC=NC2=C1 |r,c:16,21,23,26,t:19|

Venlafaxine HCl

Information: Venlafaxine is an arylalkanolamine serotonin-norepinephrine reuptake inhibitor (SNRI).

Target: 5-HT Receptor

Pathway: Neuronal Signaling

Formula: C17H28ClNO2

CAS Number: 99300-78-4

SMILES: Cl.COC1=CC=C(C=C1)C(CN(C)C)C1(O)CCCCC1 |c:4,6,t:2|

Voriconazole

Information: Voriconazole is a new triazole derivative similar to fluconazole and itraconazole that acts by inhibiting fungal cytochrome P-450-dependent, 14-alpha-sterol demethylase-mediated synthesis of ergosterol.

Target: P450 (e.g. CYP17)

Pathway: Metabolism

Formula: C16H14F3N5O

CAS Number: 137234-62-9

SMILES: C[C@@H](C1=NC=NC=C1F)[C@](O)(CN1C=NC=N1)C1=CC=C(F)C=C1F |r,c:4,6,14,16,24,t:2,19,21|

Ziprasidone HCl

Information: Ziprasidone HCl was the fifth atypical antipsychotic.

Target: 5-HT Receptor,Dopamine Receptor

Pathway: Others

Formula: C21H22Cl2N4OS

CAS Number: 122883-93-6

SMILES: Cl.ClC1=CC2=C(CC(=O)N2)C=C1CCN1CCN(CC1)C1=NSC2=C1C=CC=C2 |c:10,25,28,30,t:1,3,22|

Orantinib (TSU-68, SU6668)

Information: SU6668 has greatest potency against PDGFR autophosphorylation with Ki of 8 nM, but also strongly inhibits Flk-1 and FGFR1 trans-phosphorylation, little activity against IGF-1R, Met, Src, Lck, Zap70, Abl and CDK2; does not inhibit EGFR. Phase 3.

Target: FGFR,PDGFR,VEGFR

Pathway: Protein Tyrosine Kinase

Formula: C18H18N2O3

CAS Number: 252916-29-3

SMILES: CC1=C(CCC(O)=O)C(C)=C(N1)\C=C1/C(=O)NC2=CC=CC=C12 |c:1,9,20,t:18,22|

Alprostadil

Information: Alprostadil is used as a drug in the treatment of erectile dysfunction and has vasodilatory properties.

Target: Immunology & Inflammation related

Pathway: Others

Formula: C20H34O5

CAS Number: 745-65-3

SMILES: CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O |r|

CP-673451

Information: CP 673451 is a selective inhibitor of PDGFRα/β with IC50 of 10 nM/1 nM, exhibits >450-fold selectivity over other angiogenic receptors, has antiangiogenic and antitumor activity.

Target: PDGFR

Pathway: Protein Tyrosine Kinase

Formula: C24H27N5O2

CAS Number: 343787-29-1

SMILES: COCCOC1=CC=C2N(C=NC2=C1)C1=NC2=C(C=CC=C2C=C1)N1CCC(N)CC1 |c:10,13,20,22,25,t:5,7,16,18|

PD318088

Information: PD318088 is a non-ATP competitive allosteric MEK1/2 inhibitor, binds simultaneously with ATP in a region of the MEK1 active site that is adjacent to the ATP-binding site.

Target: MEK

Pathway: MAPK

Formula: C16H13BrF3IN2O4

CAS Number: 391210-00-7

SMILES: OCC(O)CONC(=O)C1=C(NC2=CC=C(I)C=C2F)C(F)=C(F)C(Br)=C1 |c:9,17,26,t:12,14,22|

Sulfasalazine

Information: Sulfasalazine is a sulfa agent and a derivative of mesalazine used primarily as an anti-inflammatory agent.

Target: COX,NF-κB

Pathway: Others

Formula: C18H14N4O5S

CAS Number: 599-79-1

SMILES: OC(=O)C1=C(O)C=CC(=C1)\N=N\C1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC=N1 |c:3,6,8,15,17,26,28,t:13,24|

Palbociclib (PD0332991) Isethionate

Information: Palbociclib (PD0332991) Isethionate is a highly selective inhibitor of CDK4/6 with IC50 of 11 nM/16 nM in cell-free assays. It shows no activity against CDK1/2/5, EGFR, FGFR, PDGFR, InsR, etc. Phase 3.

Target: CDK

Pathway: Cell Cycle

Formula: C26H35N7O6S

CAS Number: 827022-33-3

SMILES: OCCS(O)(=O)=O.CC(=O)C1=C(C)C2=CN=C(NC3=NC=C(C=C3)N3CCNCC3)N=C2N(C2CCCC2)C1=O |c:9,19,21,31,t:12,14,17|

Apixaban

Information: Apixaban is a highly selective, reversible inhibitor of Factor Xa with Ki of 0.08 nM and 0.17 nM in human and rabbit, respectively.

Target: Factor Xa

Pathway: Metabolism

Formula: C25H25N5O4

CAS Number: 503612-47-3

SMILES: COC1=CC=C(C=C1)N1N=C(C(N)=O)C2=C1C(=O)N(CC2)C1=CC=C(C=C1)N1CCCCC1=O |c:4,6,15,26,28,t:2,10,24|

Cefoperazone

Information: Cefoperazone is a cephalosporin antibiotic for inhibition of rMrp2-mediated [3H]E217βG uptake with IC50 of 199 μM.

Target: Antifection

Pathway: Others

Formula: C25H27N9O8S2

CAS Number: 62893-19-0

SMILES: [H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)N1CCN(CC)C(=O)C1=O)C1=CC=C(O)C=C1)C(O)=O |r,c:9,13,44,t:7,39,41|

Ketoprofen

Information: Ketoprofen (Actron) is a non-selective NSAID with IC50 of 0.5 μM and 2.33 μM for human recombinant COX-1 and COX-2, respectively.

Target: COX

Pathway: Neuronal Signaling

Formula: C16H14O3

CAS Number: 22071-15-4

SMILES: CC(C(O)=O)C1=CC(=CC=C1)C(=O)C1=CC=CC=C1 |c:7,9,16,18,t:5,14|

Dofetilide

Information: Dofetilide(Tikosyn) is a class III antiarrhythmic agent.

Target: Potassium Channel

Pathway: Others

Formula: C19H27N3O5S2

CAS Number: 115256-11-6

SMILES: CN(CCOC1=CC=C(NS(C)(=O)=O)C=C1)CCC1=CC=C(NS(C)(=O)=O)C=C1 |c:14,28,t:5,7,19,21|

Glipizide

Information: Glipizide(Glucotrol) is used to treat high blood sugar levels caused by a type of diabetes mellitus called type 2 diabetes.

Target: Others

Pathway: Others

Formula: C21H27N5O4S

CAS Number: 29094-61-9

SMILES: CC1=NC=C(N=C1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1 |c:3,5,15,17,t:1,13|

Glyburide (Glibenclamide)

Information: Glyburide (Diabeta) is an anti-diabetic compound in a class of medications known as sulfonylureas, closely related to sulfa agents.

Target: Potassium Channel

Pathway: Others

Formula: C23H28ClN3O5S

CAS Number: 10238-21-8

SMILES: COC1=C(C=C(Cl)C=C1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1 |c:7,17,19,t:2,4,15|

Levonorgestrel

Information: Levonorgestrel(Levonelle) is a synthetic progestogen used as an active ingredient in some hormonal contraceptives.

Target: Estrogen/progestogen Receptor

Pathway: Others

Formula: C21H28O2

CAS Number: 797-63-7

SMILES: [H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |r,c:22|

Gemfibrozil

Information: Gemfibrozil (Lopid) is a compound used to lower lipid levels.

Target: PPAR

Pathway: Others

Formula: C15H22O3

CAS Number: 25812-30-0

SMILES: CC1=CC(OCCCC(C)(C)C(O)=O)=C(C)C=C1 |c:16,t:1,13|

Methylprednisolone

Information: Methylprednisolone is a synthetic corticosteroid with anti-inflammatory and immunomodulating properties.

Target: Glucocorticoid Receptor

Pathway: Others

Formula: C22H30O5

CAS Number: 83-43-2

SMILES: [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)C=C[C@]12C |r,c:28,t:24|

Ramipril

Information: Ramipril is an angiotensin-converting enzyme (ACE) inhibitor with IC50 of 5 nM.

Target: RAAS

Pathway: Endocrinology & Hormones

Formula: C23H32N2O5

CAS Number: 87333-19-5

SMILES: CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(O)=O |r,c:10,12,t:8|

Nifedipine

Information: Nifedipine(Adalat), a potent vasodilator agent with calcium antagonistic action.

Target: Calcium Channel

Pathway: Others

Formula: C17H18N2O6

CAS Number: 21829-25-4

SMILES: COC(=O)C1=C(C)NC(C)=C(C1C1=C(C=CC=C1)[N+]([O-])=O)C(=O)OC |c:4,9,15,17,t:13|

Amlodipine

Information: Amlodipine(Norvasc) is a long-acting calcium channel blocker with an IC50 of 1.9 nM.

Target: Calcium Channel

Pathway: Transmembrane Transporters

Formula: C20H25ClN2O5

CAS Number: 88150-42-9

SMILES: CCOC(=O)C1=C(COCCN)NC(C)=C(C1C1=C(Cl)C=CC=C1)C(=O)OC |c:5,14,18,21,23|

Sulbactam

Information: Sulbactam is a beta-lactamase inhibitor with an average IC50 of 0.8 μM.

Target: Antifection

Pathway: Others

Formula: C8H11NO5S

CAS Number: 68373-14-8

SMILES: [H][C@@]12CC(=O)N1[C@@]([H])(C(O)=O)C(C)(C)S2(=O)=O |r|

Amiodarone HCl

Information: Amiodarone HCl is an antiarrhythmic drug for inhibition of ATP-sensitive potassium channel with IC50 of 19.1 μM.

Target: Autophagy,Potassium Channel

Pathway: Transmembrane Transporters

Formula: C25H30ClI2NO3

CAS Number: 19774-82-4

SMILES: Cl.CCCCC1=C(C(=O)C2=CC(I)=C(OCCN(CC)CC)C(I)=C2)C2=C(O1)C=CC=C2 |c:4,22,25,29,31,t:8,11|

Maraviroc

Information: Maraviroc is a CCR5 antagonist for MIP-1α, MIP-1β and RANTES with IC50 of 3.3 nM, 7.2 nM and 5.2 nM, respectively.

Target: CCR

Pathway: Microbiology

Formula: C29H41F2N5O

CAS Number: 376348-65-1

SMILES: CC(C)C1=NN=C(C)N1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)C1=CC=CC=C1 |r,c:37,39,t:3,5,35|

Clindamycin Phosphate

Information: Clindamycin Phosphate is a lincosamide antibiotic for Plasmodium falciparum with IC50 of 12 nM.

Target: Antifection

Pathway: Others

Formula: C18H34ClN2O8PS

CAS Number: 24729-96-2

SMILES: CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@H](C)Cl)[C@H]1O[C@H](SC)[C@H](OP(O)(O)=O)[C@@H](O)[C@H]1O |r|

Atorvastatin Calcium

Information: Atorvastatin (Lipitor) is an inhibitor of HMG-CoA reductase used as a cholesterol-lowering medication that blocks the production of cholesterol.

Target: HMG-CoA Reductase

Pathway: Metabolism

Formula: C66H68CaF2N4O10

CAS Number: 134523-03-8

SMILES: [Ca++].CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1.CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1 |r,c:3,10,12,15,35,40,42,47,54,56,59,79,84,86,t:8,30,32,38,52,74,76,82|

Betaxolol

Information: Betaxolol is a selective beta1 adrenergic receptor blocker used in the treatment of hypertension and glaucoma.

Target: Adrenergic Receptor

Pathway: Neuronal Signaling

Formula: C18H29NO3

CAS Number: 659-18-7

SMILES: CC(C)NCC(O)COC1=CC=C(CCOCC2CC2)C=C1 |c:21,t:9,11|

Ibutilide Fumarate

Information: Ibutilide Fumarate is a Class III antiarrhythmic agent that is indicated for acute cardioconversion of atrial fibrillation and atrial flutter of a recent onset to sinus rhythm by induction of slow inward sodium current, which prolongs action potential and refractory period of myocardial cells.

Target: Sodium Channel

Pathway: Transmembrane Transporters

Formula: C44H76N4O10S2

CAS Number: 122647-32-9

SMILES: OC(=O)\C=C\C(O)=O.CCCCCCCN(CC)CCCC(O)C1=CC=C(NS(C)(=O)=O)C=C1.CCCCCCCN(CC)CCCC(O)C1=CC=C(NS(C)(=O)=O)C=C1 |c:31,57,t:22,24,48,50|

Bazedoxifene HCl

Information: Bazedoxifene HCl is a novel, non-steroidal, indole-based estrogen receptor modulator (SERM) binding to both ERα and ERβ with IC50 of 23 nM and 89 nM.

Target: Estrogen/progestogen Receptor

Pathway: Endocrinology & Hormones

Formula: C30H35ClN2O3

CAS Number: 198480-56-7

SMILES: Cl.CC1=C(N(CC2=CC=C(OCCN3CCCCCC3)C=C2)C2=CC=C(O)C=C12)C1=CC=C(O)C=C1 |c:20,37,t:1,5,7,23,25,28,32,34|

Gabapentin

Information: Gabapentin is a GABA analogue, used to treat seizures and neuropathic pain.

Target: GABA Receptor

Pathway: Neuronal Signaling

Formula: C9H17NO2

CAS Number: 60142-96-3

SMILES: NCC1(CC(O)=O)CCCCC1

PF-4708671

Information: PF-4708671 is a cell-permeable inhibitor of p70 ribosomal S6 kinase (S6K1 isoform) with Ki/IC50 of 20 nM/160 nM, 400-fold greater selectivity for S6K1 than S6K2, and 4- and >20-fold selectivity for S6K1 than MSK1 and RSK1/2, respectively. First S6K1-specific inhibitor to be reported.

Target: S6 Kinase

Pathway: PI3K/Akt/mTOR

Formula: C19H21F3N6

CAS Number: 1255517-76-0

SMILES: CCC1=CN=CN=C1N1CCN(CC2=NC3=C(N2)C=CC(=C3)C(F)(F)F)CC1 |c:4,6,16,20,22,t:2,14|

Bazedoxifene Acetate

Information: Bazedoxifene Acetate is a third generation selective estrogen receptor modulator (SERM).

Target: Estrogen/progestogen Receptor

Pathway: Endocrinology & Hormones

Formula: C32H38N2O5

CAS Number: 198481-33-3

SMILES: CC(O)=O.CC1=C(N(CC2=CC=C(OCCN3CCCCCC3)C=C2)C2=CC=C(O)C=C12)C1=CC=C(O)C=C1 |c:23,40,t:4,8,10,26,28,31,35,37|

PD128907 HCl

Information: PD 128907 HCl is a potent and selective dopamine D3 receptor agonist, with EC50 of 0.64 nM, exhibits 53-fold selectivity over dopamine D2 receptor.

Target: Dopamine Receptor

Pathway: Neuronal Signaling

Formula: C14H20ClNO3

CAS Number: 112960-16-4

SMILES: Cl.[H][C@]12COC3=CC=C(O)C=C3[C@]1([H])OCCN2CCC |r,c:9,t:4,6|

PF-3716556

Information: PF 3716556 is a potent and selective P-CAB (potassium-competitive acid blocker), with pIC50 of 6.026 and 7.095 for the inhibition of porcine H+,K+-ATPase activity in ion-leaky and ion-tight assay, respectively, inhibits gastric acid secretion, displays no activity at Na+,K+-ATPase, used for the treatment of gastroesophageal reflux disease.

Target: ATPase,Proton Pump

Pathway: Transmembrane Transporters

Formula: C22H26N4O3

CAS Number: 928774-43-0

SMILES: CN(CCO)C(=O)C1=CN2C=C(C)N=C2C(N[C@@H]2CCOC3=CC=CC(C)=C23)=C1 |r,c:13,24,30,t:7,10,22,27|

UK 383367

Information: UK-383367 is a procollagen C-proteinase inhibitor with IC50 of 44 nM, has excellent selectivity over MMPs.

Target: Procollagen C Proteinase

Pathway: Metabolism

Formula: C15H24N4O4

CAS Number: 348622-88-8

SMILES: NC(=O)C1=NOC(=N1)[C@H](CCCC1CCCCC1)CC(=O)NO |r,c:6,t:3|

Clindamycin HCl

Information: Clindamycin hydrochloride(Dalacin) is the hydrated hydrochloride salt of clindamycin which is a semisynthetic antibiotic.

Target: Antifection

Pathway: Others

Formula: C18H34Cl2N2O5S

CAS Number: 21462-39-5

SMILES: Cl.CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H](C(C)Cl)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O |r|

Phenytoin

Information: Phenytoin is an inactive voltage-gated sodium channel stabilizer.

Target: Sodium Channel

Pathway: Transmembrane Transporters

Formula: C15H12N2O2

CAS Number: 57-41-0

SMILES: O=C1NC(=O)C(N1)(C1=CC=CC=C1)C1=CC=CC=C1 |c:10,12,17,19,t:8,15|

Tiotropium Bromide hydrate

Information: Tiotropium Bromide hydrate is a monohydrate of tiotropium bromide (Spiriva; Tiova; BA 679BR; tiopropium) that is an anticholinergic and bronchodilator and a muscarinic receptor antagonist.

Target: AChR

Pathway: Neuronal Signaling

Formula: C19H24BrNO5S2

CAS Number: 139404-48-1

SMILES: O.[Br-].[H][C@]12C[C@@H](C[C@]([H])([C@H]3O[C@@H]13)[N+]2(C)C)OC(=O)C(O)(C1=CC=CS1)C1=CC=CS1 |r,c:23,29,t:21,27|

Tolterodine tartrate

Information: Tolterodine tartrate (Detrol LA) is a tartrate salt of tolterodine that is a competitive muscarinic receptor antagonist.

Target: AChR

Pathway: Neuronal Signaling

Formula: C26H37NO7

CAS Number: 124937-52-6

SMILES: O[C@H]([C@@H](O)C(O)=O)C(O)=O.CC(C)N(CC[C@H](C1=CC=CC=C1)C1=CC(C)=CC=C1O)C(C)C |r,c:18,20,26,28,t:16,23|

Sulbactam sodium

Information: Sulbactam sodium (Unasyn) is an irreversible β-lactamase inhibitor.

Target: Antifection

Pathway: Others

Formula: C8H10NNaO5S

CAS Number: 69388-84-7

SMILES: [Na+].[H][C@@]12CC(=O)N1[C@@]([H])(C([O-])=O)C(C)(C)S2(=O)=O |r|

Medroxyprogesterone acetate

Information: Medroxyprogesterone acetate is a progestin, a synthetic variant of the human hormone progesterone and a potent progesterone receptor agonist.

Target: Estrogen/progestogen Receptor

Pathway: Endocrinology & Hormones

Formula: C24H34O4

CAS Number: 71-58-9

SMILES: [H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)CC[C@]12C |r,t:25|

Quinapril HCl

Information: Quinapril hydrochloride (Accupril) is the hydrochloride salt of quinapril that is an angiotensin-converting enzyme inhibitor with a Ki of 20 μM.

Target: RAAS

Pathway: Endocrinology & Hormones

Formula: C25H31ClN2O5

CAS Number: 82586-55-8

SMILES: Cl.CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1CC2=C(C[C@H]1C(O)=O)C=CC=C2 |r,c:10,12,22,30,32,t:8|

Miglitol

Information: Miglitol is an oral anti-diabetic drug.

Target: Others

Pathway: Others

Formula: C8H17NO5

CAS Number: 72432-03-2

SMILES: OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|

Pioglitazone

Information: Pioglitazone (Actos) is a selective peroxisome proliferator-activated receptor gamma stimulator.

Target: PPAR

Pathway: Others

Formula: C19H20N2O3S

CAS Number: 111025-46-8

SMILES: CCC1=CC=C(CCOC2=CC=C(CC3SC(=O)NC3=O)C=C2)N=C1 |c:22,25,t:2,4,9,11|

Clindamycin palmitate HCl

Information: Clindamycin palmitate HCl is a water soluble hydrochloride salt of the ester of clindamycin and palmitic acid and a lincosamide antibiotic.

Target: Others

Pathway: Others

Formula: C34H64Cl2N2O6S

CAS Number: 25507-04-4

SMILES: Cl.CCCCCCCCCCCCCCCC(=O)OC1C(O)C(O)C(OC1SC)C(NC(=O)C1CC(CCC)CN1C)C(C)Cl

PF-04929113 (SNX-5422)

Information: PF-04929113 (SNX-5422) is a potent and selective HSP90 inhibitor with Kd of 41 nM and induces Her-2 degradation with IC50 of 37 nM. Phase 1/2.

Target: HSP (e.g. HSP90)

Pathway: Cytoskeletal Signaling

Formula: C25H30F3N5O4

CAS Number: 908115-27-5

SMILES: CC1(C)CC2=C(C(=NN2C2=CC=C(C(N)=O)C(N[C@H]3CC[C@@H](CC3)OC(=O)CN)=C2)C(F)(F)F)C(=O)C1 |r,c:6,30,t:4,10,12|

PF-3845

Information: PF-3845 is a potent, selective and irreversible FAAH inhibitor with Ki of 230 nM, showing negligible activity against FAAH2.

Target: FAAH

Pathway: Metabolism

Formula: C24H23F3N4O2

CAS Number: 1196109-52-0

SMILES: FC(F)(F)C1=CN=C(OC2=CC(CC3CCN(CC3)C(=O)NC3=CN=CC=C3)=CC=C2)C=C1 |c:25,27,29,31,34,t:4,6,9,23|

PF-00562271

Information: PF-00562271 is the benzenesulfonate salt of PF-562271, which is a potent, ATP-competitive, reversible inhibitor of FAK with IC50 of 1.5 nM, ~10-fold less potent for Pyk2 than FAK and >100-fold selectivity against other protein kinases, except for some CDKs. Phase 1.

Target: FAK

Pathway: Angiogenesis

Formula: C27H26F3N7O6S2

CAS Number: 939791-38-5

SMILES: OS(=O)(=O)C1=CC=CC=C1.CN(C1=C(CNC2=C(C=NC(NC3=CC=C4NC(=O)CC4=C3)=N2)C(F)(F)F)C=CC=N1)S(C)(=O)=O |c:6,8,12,18,31,33,40,42,t:4,16,22,24|

PF-2545920

Information: PF-2545920 is a potent and selective <b>PDE10A</b> inhibitor with <b>IC50</b> of 0.37 nM, with >1000-fold selectivity over the PDE.

Target: PDE

Pathway: Metabolism

Formula: C25H20N4O

CAS Number: 1292799-56-4

SMILES: CN1C=C(C(=N1)C1=CC=C(OCC2=NC3=CC=CC=C3C=C2)C=C1)C1=CC=NC=C1 |c:2,4,17,19,22,25,30,32,t:7,9,13,15,28|

CP-91149

Information: CP-91149 is a selective glycogen phosphorylase (GP) inhibitor with IC50 of 0.13 μM in the presence of glucose, 5- to 10-fold less potent in the absence of glucose.

Target: Phosphorylase

Pathway: Metabolism

Formula: C21H22ClN3O3

CAS Number: 186392-40-5

SMILES: CN(C)C(=O)[C@H](O)[C@H](CC1=CC=CC=C1)NC(=O)C1=CC2=CC(Cl)=CC=C2N1 |r,c:11,13,24,26,t:9,19,21|

PH-797804

Information: PH-797804 is a novel pyridinone inhibitor of p38α with IC50 of 26 nM; 4-fold more selective versus p38β and does not inhibit JNK2. Phase 2.

Target: p38 MAPK

Pathway: MAPK

Formula: C22H19BrF2N2O3

CAS Number: 586379-66-0

SMILES: CNC(=O)C1=CC(N2C(C)=CC(OCC3=CC=C(F)C=C3F)=C(Br)C2=O)=C(C)C=C1 |c:9,19,30,t:4,14,16,22,27|

Dacomitinib (PF299804, PF299)

Information: PF-299804 is a potent, irreversible pan-ErbB inhibitor, mostly to EGFR with IC50 of 6 nM, effective against NSCLCs with EGFR or ERBB2 mutations (resistant to gefitinib) as well as those harboring the EGFR T790M mutation. Phase 2.

Target: EGFR

Pathway: Protein Tyrosine Kinase

Formula: C24H25ClFN5O2

CAS Number: 1110813-31-4

SMILES: COC1=C(NC(=O)\C=C\CN2CCCCC2)C=C2C(NC3=CC(Cl)=C(F)C=C3)=NC=NC2=C1 |c:2,27,29,31,34,t:17,21,24|

PF-04691502

Information: PF-04691502 is an ATP-competitive PI3K(α/β/δ/γ)/mTOR dual inhibitor with Ki of 1.8 nM/2.1 nM/1.6 nM/1.9 nM and 16 nM, little activity against either Vps34, AKT, PDK1, p70S6K, MEK, ERK, p38, or JNK. Phase 2.

Target: Akt,mTOR,PI3K

Pathway: PI3K/Akt/mTOR

Formula: C22H27N5O4

CAS Number: 1013101-36-4

SMILES: COC1=CC=C(C=N1)C1=CC2=C(C)N=C(N)N=C2N([C@H]2CC[C@@H](CC2)OCCO)C1=O |r,c:4,6,11,17,t:2,9,14|

PF-5274857

Information: PF-5274857 is a potent and selective Smoothened (Smo) antagonist, inhibits Hedgehog (Hh) signaling with IC50 and Ki of 5.8 nM and 4.6 nM, respectively, and can penetrate the blood–brain barrier.

Target: Hedgehog/Smoothened

Pathway: Stem Cells & Wnt

Formula: C20H25ClN4O3S

CAS Number: 1373615-35-0

SMILES: CC1=CC(C)=C(N=C1)C1=CC(=NC=C1Cl)N1CCN(CC1)C(=O)CCS(C)(=O)=O |c:4,6,11,13,t:1,9|

Tofacitinib (CP-690550,Tasocitinib)

Information: Tofacitinib is a novel inhibitor of JAK3 with IC50 of 1 nM, 20- to 100-fold less potent against JAK2 and JAK1.

Target: JAK

Pathway: JAK/STAT

Formula: C16H20N6O

CAS Number: 477600-75-2

SMILES: C[C@@H]1CCN(C[C@@H]1N(C)C1=C2C=CNC2=NC=N1)C(=O)CC#N |r,c:10,12,16,18|

Torcetrapib

Information: Torcetrapib is a CETP inhibitor with IC50 of 37 nM, elevates HDL-C and reduces nonHDL-C in plasma. Phase 3.

Target: CETP

Pathway: Metabolism

Formula: C26H25F9N2O4

CAS Number: 262352-17-0

SMILES: CCOC(=O)N1[C@H](CC)C[C@H](N(CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)OC)C2=C1C=CC(=C2)C(F)(F)F |r,c:15,17,32,35,37,t:13|

Clindamycin

Information: Clindamycin inhibits protein synthesis by acting on the 50S ribosomal.

Target: Others

Pathway: Others

Formula: C18H33ClN2O5S

CAS Number: 18323-44-9

SMILES: CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H](C(C)Cl)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O |r|

PF-4981517

Information: PF-4981517 is a potent and selective inhibitor of CYP3A4 (P450) with IC50 of 0.03 μM, exhibits >500-fold selectivity over CYP3A5 and CYP3A7.

Target: P450 (e.g. CYP17)

Pathway: Metabolism

Formula: C26H32N8

CAS Number: 1390637-82-7

SMILES: CN1N=C(C2=C(N(C)N=C2)C2=CC=C(C)C=C2)C2=C(N=CN=C12)N1CC[C@@H](C1)N1CCCCC1 |r,c:8,16,21,t:2,4,11,13,19,23|

Azithromycin Dihydrate

Information: Azithromycin Dihydrate is an acid stable orally administered macrolide antimicrobial drug, structurally related to erythromycin.

Target: Antifection

Pathway: Others

Formula: C38H76N2O14

CAS Number: 117772-70-0

SMILES: O.O.CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)C(C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O |r|

Tofacitinib (CP-690550) Citrate

Information: Tofacitinib citrate (CP-690550 citrate) is a novel inhibitor of JAK3 with IC50 of 1 nM, 20- to 100-fold less potent against JAK2 and JAK1.

Target: JAK

Pathway: JAK/STAT

Formula: C22H28N6O8

CAS Number: 540737-29-9

SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O.C[C@@H]1CCN(C[C@@H]1N(C)C1=C2C=CNC2=NC=N1)C(=O)CC#N |r,c:22,24,28,30|

Azithromycin

Information: Azithromycin is an antibiotic for inhibition of parasite growth with IC50 of 8.4 μM.

Target: Autophagy

Pathway: Ubiquitin

Formula: C38H72N2O12

CAS Number: 83905-01-5

SMILES: [H][C@@]1(C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)O[C@H]1[C@H](C)[C@@H](O[C@@]2([H])O[C@H](C)C[C@@H]([C@H]2O)N(C)C)C(C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]1C |r|

Drug List