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

General Information of Drug (ID: DR3224)
Drug Name
BMS-275183
Synonyms BMS-198246; Oral taxane (cancer), BMS; Oral taxane (cancer), Bristol-Myers Squibb
Indication Solid tumour/cancer [ICD11: 2A00-2F9Z] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 845.9 Topological Polar Surface Area 240
Heavy Atom Count 60 Rotatable Bond Count 16
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 16
Cross-matching ID
PubChem CID
6918594
CAS Number
355113-98-3
TTD Drug ID
D0DI8J
Formula
C43H59NO16
Canonical SMILES
CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C(C)(C)C)NC(=O)OC(C)(C)C)O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)OC)O)C)OC(=O)C
InChI
InChI=1S/C43H59NO16/c1-21-24(57-35(50)28(47)31(38(3,4)5)44-36(51)59-39(6,7)8)19-43(53)33(58-34(49)23-16-14-13-15-17-23)30-41(11,32(48)29(56-22(2)45)27(21)40(43,9)10)25(46)18-26-42(30,20-55-26)60-37(52)54-12/h13-17,24-26,28-31,33,46-47,53H,18-20H2,1-12H3,(H,44,51)/t24-,25-,26+,28+,29+,30-,31+,33-,41+,42-,43+/m0/s1
InChIKey
AHXICHPPXIGCBN-GPWPDEGDSA-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
BMS-275183 Metabolite M23 DM019890 N. A. Unclear - Unclear 1 [2]
Unclear DM009999 N. A. Unclear - Unclear 1 [2]
BMS-275183 Metabolite M20 DM019887 N. A. Unclear - Unclear 2 [2]
BMS-275183 Metabolite M20B DM019888 N. A. Unclear - Unclear 2 [2]
Unclear DM009999 N. A. Unclear - Unclear 2 [2]
BMS-275183 Metabolite M20 DM019887 N. A. Unclear - Unclear 3 [2]
BMS-275183 Metabolite M20B DM019888 N. A. Unclear - Unclear 3 [2]
BMS-275183 Metabolite M22 DM019886 N. A. Unclear - Unclear 3 [2]
BMS-275183 Metabolite M21 DM019889 N. A. Unclear - Unclear 4 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR012650 BMS-275183 Unclear Unclear - Unclear CYP3A4 [2]
MR012656 BMS-275183 BMS-275183 Metabolite M23 Unclear - Unclear CYP3A4 [2]
MR012657 BMS-275183 Metabolite M23 BMS-275183 Metabolite M20 Unclear - Unclear Unclear [2]
MR012658 BMS-275183 Metabolite M23 BMS-275183 Metabolite M20B Unclear - Unclear Unclear [2]
MR012651 Unclear Unclear Unclear - Unclear Unclear [2]
MR012652 Unclear BMS-275183 Metabolite M22 Unclear - Unclear Unclear [2]
MR012653 Unclear BMS-275183 Metabolite M20 Unclear - Unclear Unclear [2]
MR012654 Unclear BMS-275183 Metabolite M20B Unclear - Unclear Unclear [2]
MR012655 BMS-275183 Metabolite M22 BMS-275183 Metabolite M21 Unclear - Unclear Unclear [2]
⏷ Show the Full List of 9 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 ClinicalTrials.gov (NCT00359450) Study of BMS-275183 in Patients With Pretreated Locally Advanced or Metastatic NSCLC (Non Small Cell Lung Cancer). U.S. National Institutes of Health.
2 CYP3A4-mediated ester cleavage as the major metabolic pathway of the oral taxane 3'-tert-butyl-3'-N-tert-butyloxycarbonyl-4-deacetyl-3'-dephenyl-3'-N-debenzoyl-4-O-methoxycarbonyl-paclitaxel (BMS-275183)

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