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

General Information of Drug (ID: DR1470)
Drug Name
CB-44212
Synonyms
RFR2CH3QZK; SCHEMBL387920; Seletracetam; Seletracetam (USAN/INN); Seletracetam [USAN:INN]; UCB 44212; UCB-44212; ZINC11726774; (2S)-2-((4S)-4-(2,2-Difluoroethenyl)-2-oxopyrrolidin-1-yl)butanamide; 357336-74-4; CHEMBL3918017; D05817; DB05885; DTXSID30905079; UNII-RFR2CH3QZK
Indication Epilepsy [ICD11: 8A60] Discontinued [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 232.23 Topological Polar Surface Area 63.4
Heavy Atom Count 16 Rotatable Bond Count 4
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
9942725
PubChem SID
14916934 ; 24714958 ; 29195874 ; 47207478 ; 57373862 ; 78501895 ; 134222132 ; 135207231 ; 137147450 ; 140194558 ; 175427051 ; 198964485 ; 226717568 ; 244613387
CAS Number
357336-74-4
TTD Drug ID
D0L9AJ
Formula
C10H14F2N2O2
Canonical SMILES
CCC(C(=O)N)N1CC(CC1=O)C=C(F)F
InChI
1S/C10H14F2N2O2/c1-2-7(10(13)16)14-5-6(3-8(11)12)4-9(14)15/h3,6-7H,2,4-5H2,1H3,(H2,13,16)/t6-,7+/m1/s1
InChIKey
ANWPENAPCIFDSZ-RQJHMYQMSA-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
Ucb-101596-1 DM005553 N. A. Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005920 CB-44212 Ucb-101596-1 Unclear Unclear [3]
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 Emerging drugs for epilepsy. Expert Opin Emerg Drugs. 2007 Sep;12(3):407-22.
2 Integrated analysis on the physicochemical properties of dihydropyridine calcium channel blockers in grapefruit juice interactions. Curr Pharm Biotechnol. 2012 Jul;13(9):1705-17.
3 DrugBank(Pharmacology-Metabolism): Seletracetam

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