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

General Information of Drug (ID: DR3195)
Drug Name
BMS-690514
Synonyms BMS 690514; BMS690514
Indication Chronic pain [ICD11: MG30] Phase 2 [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 368.4 Topological Polar Surface Area 101
Heavy Atom Count 27 Rotatable Bond Count 5
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
11349170
CAS Number
859853-30-8
TTD Drug ID
D0R6UV
Formula
C19H24N6O2
Canonical SMILES
COC1=CC=CC(=C1)NC2=NC=NN3C2=C(C=C3)CN4CC[C@H]([C@@H](C4)O)N
InChI
InChI=1S/C19H24N6O2/c1-27-15-4-2-3-14(9-15)23-19-18-13(5-8-25(18)22-12-21-19)10-24-7-6-16(20)17(26)11-24/h2-5,8-9,12,16-17,26H,6-7,10-11,20H2,1H3,(H,21,22,23)/t16-,17-/m1/s1
InChIKey
CSGQVNMSRKWUSH-IAGOWNOFSA-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-690514 M1 DM019775 N. A. Unclear - Unclear 1 [3]
BMS-690514 M2 DM019770 N. A. Unclear - Unclear 1 [3]
BMS-690514 M3 DM019772 N. A. Unclear - Unclear 1 [3]
BMS-690514 M37 DM019766 N. A. Unclear - Unclear 1 [3]
BMS-690514 M6 DM019776 N. A. Unclear - Unclear 1 [3]
BMS-690514 M24 DM019774 N. A. Unclear - Unclear 2 [3]
BMS-690514 M28 DM019768 N. A. Unclear - Unclear 2 [3]
BMS-690514 M7 DM019767 N. A. Unclear - Unclear 2 [3]
BMS-690514 M8a DM019771 N. A. Unclear - Unclear 2 [3]
BMS-690514 M8b DM019769 N. A. Unclear - Unclear 2 [3]
BMS-690514 M9 DM019773 N. A. Unclear - Unclear 2 [3]
⏷ Show the Full List of 11  DM(s)
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR012500 BMS-690514 BMS-690514 M37 Unclear - Unclear Unclear [3]
MR012504 BMS-690514 BMS-690514 M2 Unclear - Unclear CYP2D6 ... [3]
MR012506 BMS-690514 BMS-690514 M3 Unclear - Unclear Unclear [3]
MR012509 BMS-690514 BMS-690514 M1 Unclear - Unclear Unclear [3]
MR012510 BMS-690514 BMS-690514 M6 Unclear - Unclear Unclear [3]
MR012505 BMS-690514 M2 BMS-690514 M8a Unclear - Unclear Unclear [3]
MR012507 BMS-690514 M3 BMS-690514 M9 Unclear - Unclear Unclear [3]
MR012508 BMS-690514 M3 BMS-690514 M24 Unclear - Unclear Unclear [3]
MR012501 BMS-690514 M37 BMS-690514 M7 Unclear - Unclear Unclear [3]
MR012502 BMS-690514 M37 BMS-690514 M28 Unclear - Unclear Unclear [3]
MR012503 BMS-690514 M37 BMS-690514 M8b Unclear - Unclear Unclear [3]
⏷ Show the Full List of 11 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[2]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 A novel epidermal growth factor receptor inhibitor promotes apoptosis in non-small cell lung cancer cells resistant to erlotinib. Cancer Res. 2007 Jul 1;67(13):6253-62.
2 Metabolism and disposition of [14C]BMS-690514 after oral administration to rats, rabbits, and dogs
3 Metabolism and disposition of [14C]BMS-690514, an ErbB/vascular endothelial growth factor receptor inhibitor, after oral administration to humans

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