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

General Information of Drug (ID: DR3274)
Drug Name
AMG 232
Synonyms KRT-232
Indication Merkel cell carcinoma [ICD11: 2C34] Phase 2 [1]
Solid tumour/cancer [ICD11: ICD11: 2A00-2F9Z] Phase 1/2 [2]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 568.6 Topological Polar Surface Area 100
Heavy Atom Count 37 Rotatable Bond Count 9
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
58573469
CAS Number
1352066-68-2
TTD Drug ID
D0C1WR
Formula
C28H35Cl2NO5S
Canonical SMILES
CC(C)[C@@H](CS(=O)(=O)C(C)C)N1[C@@H]([C@H](C[C@](C1=O)(C)CC(=O)O)C2=CC(=CC=C2)Cl)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C28H35Cl2NO5S/c1-17(2)24(16-37(35,36)18(3)4)31-26(19-9-11-21(29)12-10-19)23(20-7-6-8-22(30)13-20)14-28(5,27(31)34)15-25(32)33/h6-13,17-18,23-24,26H,14-16H2,1-5H3,(H,32,33)/t23-,24-,26-,28-/m1/s1
InChIKey
DRLCSJFKKILATL-YWCVFVGNSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
AMG 232 Metabolite M1 DM019076 N. A. Unclear - Unclear 1 [3]
AMG 232 Metabolite M2 DM019077 N. A. Unclear - Unclear 1 [3]
AMG 232 Metabolite M3 DM019078 N. A. Unclear - Unclear 1 [3]
AMG 232 Metabolite M4/M5 DM019079 N. A. Unclear - Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR011513 AMG 232 AMG 232 Metabolite M1 Unclear - Unclear Unclear [3]
MR011514 AMG 232 AMG 232 Metabolite M2 Unclear - Unclear Unclear [3]
MR011515 AMG 232 AMG 232 Metabolite M3 Unclear - Unclear Unclear [3]
MR011516 AMG 232 AMG 232 Metabolite M4/M5 Unclear - Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
UDP-glucuronosyltransferase 1A1 (UGT1A1) DME0004 Homo sapiens
UD11_HUMAN
2.4.1.17
[3]
UDP-glucuronosyltransferase 1A3 (UGT1A3) DME0041 Homo sapiens
UD13_HUMAN
2.4.1.17
[3]
UDP-glucuronosyltransferase 1A4 (UGT1A4) DME0048 Homo sapiens
UD14_HUMAN
2.4.1.17
[3]
References
1 ClinicalTrials.gov (NCT03787602) This Study Evaluates KRT-232, a Novel Oral Small Molecule Inhibitor of MDM2, for the Treatment of Patients With (p53WT) Merkel Cell Carcinoma Who Have Failed Anti-PD-1/ PD-L1 Immunotherapy. U.S. National Institutes of Health.
2 ClinicalTrials.gov (NCT02110355) A Phase 1b/2a Study Evaluating AMG 232 in Metastatic Melanoma. U.S. National Institutes of Health.
3 Pharmacokinetics and metabolism of AMG 232, a novel orally bioavailable inhibitor of the MDM2-p53 interaction, in rats, dogs and monkeys: in vitro-in vivo correlation

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