Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR0161)
Drug Name
Avatrombopag maleate
Synonyms
Avatrombopag maleate; Avatrombopag maleate (JAN/USAN); Avatrombopag maleate [USAN]; CHEMBL2105758; D10307; Doptelet (TN); E-5501; E5501 MALEATE; GDW7M2P1IS; SCHEMBL19610454; UNII-GDW7M2P1IS; YM-477; 4-Piperidinecarboxylic acid, 1-(3-chloro-5-(((4-(4-chloro-2-thienyl)-5-(4-cyclohexyl-1- piperazinyl)-2-thiazolyl)amino)carbonyl)-2-pyridinyl)-, (2Z)-2-butenedioate (1:1); 677007-74-8; AKR-501 monomaleate
Indication Thrombocytopenia [ICD11: 3B64] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 765.7 Topological Polar Surface Area 233
Heavy Atom Count 50 Rotatable Bond Count 9
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 14
Cross-matching ID
PubChem CID
9918581
PubChem SID
14889047 ; 24196785 ; 45990222 ; 78363911 ; 136349980 ; 160692703 ; 162108666 ; 163312338 ; 198978504
CAS Number
380917-97-5
TTD Drug ID
D0Z5AV
Formula
C33H38Cl2N6O7S2
Canonical SMILES
C1CCC(CC1)N2CCN(CC2)C3=C(N=C(S3)NC(=O)C4=CC(=C(N=C4)N5CCC(CC5)C(=O)O)Cl)C6=CC(=CS6)Cl.C(=CC(=O)O)C(=O)O
InChI
1S/C29H34Cl2N6O3S2.C4H4O4/c30-20-15-23(41-17-20)24-27(37-12-10-35(11-13-37)21-4-2-1-3-5-21)42-29(33-24)34-26(38)19-14-22(31)25(32-16-19)36-8-6-18(7-9-36)28(39)40;5-3(6)1-2-4(7)8/h14-18,21H,1-13H2,(H,39,40)(H,33,34,38);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKey
MISPBGHDNZYFNM-BTJKTKAUSA-N
The Predicted Metabolic Roadmap of This Drug
The Full List of Predicted Drug Metabolites (PDM) of This Drug
PDM Name PDM ID PubChem ID Reaction PDM Level Biosystem
Avatrombopag maleate M1 PDM014481 N. A. Conjugation - Glycine conjugation 1 Human
Avatrombopag maleate M2 PDM014482 N. A. Conjugation - O-Glucuronidation of aliphatic acid 1 Human
Avatrombopag maleate M3 PDM014483 N. A. Conjugation - N-Glucuronidation of 3-substituted pyridine 1 Human
Avatrombopag maleate M4 PDM014484 N. A. Conjugation - Carnitine conjugation 1 Human
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2C9 (CYP2C9) DME0019 Homo sapiens
CP2C9_HUMAN
1.14.14.1
[2]
References
1 Avatrombopag Maleate was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Population pharmacokinetic/pharmacodynamic analyses of avatrombopag in patients with chronic liver disease and optimal dose adjustment guide with concomitantly administered CYP3A and CYP2C9 inhibitors. J Clin Pharmacol. 2018 Dec;58(12):1629-1638.

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