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

General Information of Drug (ID: DR5944)
Drug Name
BMS-201038
Synonyms AEGR 733; AEGR733; BMS 201038; BMS 201238; BMS201038; AEGR-733; BMS 201038-01
Indication Hypertriglyceridaemia [ICD11: 5C80] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 693.7 Topological Polar Surface Area 61.4
Heavy Atom Count 50 Rotatable Bond Count 10
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 9
Cross-matching ID
PubChem CID
9853053
ChEBI ID
CHEBI:72297
CAS Number
182431-12-5
TTD Drug ID
D0H8VY
Formula
C39H37F6N3O2
Canonical SMILES
C1CN(CCC1NC(=O)C2=CC=CC=C2C3=CC=C(C=C3)C(F)(F)F)CCCCC4(C5=CC=CC=C5C6=CC=CC=C64)C(=O)NCC(F)(F)F
InChI
InChI=1S/C39H37F6N3O2/c40-38(41,42)25-46-36(50)37(33-13-5-3-10-30(33)31-11-4-6-14-34(31)37)21-7-8-22-48-23-19-28(20-24-48)47-35(49)32-12-2-1-9-29(32)26-15-17-27(18-16-26)39(43,44)45/h1-6,9-18,28H,7-8,19-25H2,(H,46,50)(H,47,49)
InChIKey
MBBCVAKAJPKAKM-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
Lomitapide metabolite M1 DM006414
9928271
Oxidation - N-dealkylation 1 [2]
Lomitapide metabolite M3 DM006415
54158214
Oxidation - Oxidation 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR011144 BMS-201038 Lomitapide Metabolite M1 Oxidation - N-dealkylation CYP3A4 ... [2]
MR011145 BMS-201038 Lomitapide Metabolite M3 Oxidation - Oxidation CYP3A4 [2]
References
1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7439).
2 LABEL: JUXTAPID- lomitapide mesylate capsule

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