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

General Information of Drug (ID: DR4185)
Drug Name
OTSSP167
Synonyms OTSSP 167; OTSSP-167; AMX10201
Indication Acute myeloid leukaemia [ICD11: 2A60] Phase 1 [1]
Breast cancer [ICD11: ICD11: 2C60-2C6Y] Phase 1 [2]
Chronic lymphocytic leukaemia [ICD11: ICD11: 2A82] Phase 1 [3]
Chronic myelogenous leukaemia [ICD11: ICD11: 2A20] Phase 1 [4]
Mantle cell lymphoma [ICD11: ICD11: 2A85] Phase 1 [5]
Myelodysplastic syndrome [ICD11: ICD11: 2A37] Phase 1 [6]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 487.4 Topological Polar Surface Area 78.4
Heavy Atom Count 33 Rotatable Bond Count 6
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
135398499
ChEBI ID
CHEBI:95088
CAS Number
1431697-89-0
TTD Drug ID
D08FIX
Formula
C25H28Cl2N4O2
Canonical SMILES
CC(=O)C1=CN=C2C=CC(=NC2=C1NC3CCC(CC3)CN(C)C)C4=CC(=C(C(=C4)Cl)O)Cl
InChI
InChI=1S/C25H28Cl2N4O2/c1-14(32)18-12-28-22-9-8-21(16-10-19(26)25(33)20(27)11-16)30-24(22)23(18)29-17-6-4-15(5-7-17)13-31(2)3/h8-12,15,17,33H,4-7,13H2,1-3H3,(H,28,29)
InChIKey
DKZYXHCYPUVGAF-UHFFFAOYSA-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
OTS167-G DM017337 N. A. Unclear - Unclear 1 [7]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR008449 OTSSP167 OTS167-G Unclear - Unclear UGT1A1 ... [7]
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
[7]
UDP-glucuronosyltransferase 1A10 (UGT1A10) DME0075 Homo sapiens
UD110_HUMAN
2.4.1.17
[7]
UDP-glucuronosyltransferase 1A3 (UGT1A3) DME0041 Homo sapiens
UD13_HUMAN
2.4.1.17
[7]
UDP-glucuronosyltransferase 1A8 (UGT1A8) DME0064 Homo sapiens
UD18_HUMAN
2.4.1.17
[7]
References
1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
3 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
4 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
5 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
6 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
7 Glucuronidation of OTS167 in Humans Is Catalyzed by UDP-Glucuronosyltransferases UGT1A1, UGT1A3, UGT1A8, and UGT1A10

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