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

General Information of Drug (ID: DR5618)
Drug Name
Lusutrombopag
Synonyms LUSUTROMBOPAG; mulpleta; UNII-6LL5JFU42F; 6LL5JFU42F; 2-Propenoic acid, Lusutrombopag [USAN:INN]; SCHEMBL3062
Indication Thrombocytopenia [ICD11: 3B64] Approved [1]
Liver disease [ICD11: ICD11: DB90-DB9Z] Phase 2 [2]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 591.5 Topological Polar Surface Area 126
Heavy Atom Count 39 Rotatable Bond Count 13
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
49843517
ChEBI ID
CHEBI:136051
CAS Number
1110766-97-6
TTD Drug ID
D0TD1R
Formula
C29H32Cl2N2O5S
Canonical SMILES
CCCCCCO[C@@H](C)C1=CC=CC(=C1OC)C2=CSC(=N2)NC(=O)C3=CC(=C(C(=C3)Cl)/C=C(\\C)/C(=O)O)Cl
InChI
InChI=1S/C29H32Cl2N2O5S/c1-5-6-7-8-12-38-18(3)20-10-9-11-21(26(20)37-4)25-16-39-29(32-25)33-27(34)19-14-23(30)22(24(31)15-19)13-17(2)28(35)36/h9-11,13-16,18H,5-8,12H2,1-4H3,(H,35,36)(H,32,33,34)/b17-13+/t18-/m0/s1
InChIKey
NOZIJMHMKORZBA-KJCUYJGMSA-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
Lusutrombopag M1 PDM012766 N. A. Conjugation - Glycine conjugation 1 Human
Lusutrombopag M2 PDM012767 N. A. Conjugation - O-Glucuronidation of aliphatic acid 1 Human
Lusutrombopag M3 PDM012768 N. A. Conjugation - GSH-conjugation of benzene substituted with an electron donating group 1 Human
Lusutrombopag M4 PDM012769 N. A. Conjugation - Carnitine conjugation 1 Human
Lusutrombopag M5 PDM012770 N. A. Reduction - Reduction of alpha,beta-unsaturated carbon-carbon double bond adjacent to electron withdrawing group 1 Gut microbial environment
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Lauric acid omega-hydroxylase (CYP4A11) DME0029 Homo sapiens
CP4AB_HUMAN
1.14.15.3
[3]
References
1 2018 FDA drug approvals.Nat Rev Drug Discov. 2019 Feb;18(2):85-89.
2 ClinicalTrials.gov (NCT01054443) A Study to Investigate the Efficacy and Safety of S-888711 Tablets Administered to Adult Subjects With Immune Thrombocytopenia (ITP). U.S. National Institutes of Health.
3 Human mass balance, metabolism, and cytochrome P450 phenotyping of lusutrombopag

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