Details of the Drug Metabolite (DM)

General Information of Drug Metabolite (DM) (ID: DM020044)
DM Name
BMS-830216
Synonyms
AFN-1252|620175-39-5|API-1252|Debio 1452|API 1252|DEBIO1452|afabicin desphosphono|DEBIO-1452|(E)-N-methyl-N-((3-methylbenzofuran-2-yl)methyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide|T3O718IKKM|CHEMBL1652621|AFN-1252(Debio 1452)|(E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide|2-Propenamide, N-methyl-N-((3-methyl-2-benzofuranyl)methyl)-3-(5,6,7,8-tetrahydro-7-oxo-1,8-naphthyridin-3-yl)-, (2E)-|AFN-12520000|UNII-T3O718IKKM|API-1252;Debio 1452|SCHEMBL724936|SCHEMBL724937|GTPL10755|AFN1252|DTXSID10211069|AFN 1252|BCP19135|VZA17539|BDBM50052244|AKOS037645003|DB12658|NCGC00485479-01|AC-36975|AS-56008|HY-16911|C75910|A901058|Q27289625
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 375.4 Topological Polar Surface Area 75.4
Heavy Atom Count 28 Rotatable Bond Count 4
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4
PubChem CID
44539266
Complexity
622
Formula
C22H21N3O3
Canonical SMILES
CC1=C(OC2=CC=CC=C12)CN(C)C(=O)C=CC3=CC4=C(NC(=O)CC4)N=C3
InChI
InChI=1S/C22H21N3O3/c1-14-17-5-3-4-6-18(17)28-19(14)13-25(2)21(27)10-7-15-11-16-8-9-20(26)24-22(16)23-12-15/h3-7,10-12H,8-9,13H2,1-2H3,(H,23,24,26)/b10-7+
InChIKey
QXTWSUQCXCWEHF-JXMROGBWSA-N
IUPAC name
(E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
Full List of Drug-Metabolizing Enzyme (DME) Related to This DM
DME(s) Producing This DM through Metabolism
DME Name DME ID Reactant Reaction Related Drug REF
Carboxylesterase (CES) DMEN121
CZ48
Hydrolysis - Hydrolysis CZ-48 [1]
Full List of Drug(s) That Produce This DM By Metabolism
CZ-48 DR4155 Phase 1 Solid tumour/cancer
References
1 Sustained delivery of a camptothecin prodrug - CZ48 by nanosuspensions with improved pharmacokinetics and enhanced anticancer activity

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