Details of the Drug

General Information of Drug (ID: DM3IJMN)

Drug Name
Seletracetam
Synonyms UCB 44212; UCB-44212; 2-[4-(2,2-difluoroethenyl)-2-oxo-pyrrolidin-1-yl]butanamide
Indication
Disease Entry ICD 11 Status REF
Epilepsy 8A60-8A68 Discontinued in Phase 3 [1]
Affected Organisms
Humans and other mammals
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 232.23
Logarithm of the Partition Coefficient (xlogp) 0.3
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
ADMET Property
Absorption Tmax
The time to maximum plasma concentration (Tmax) is 1 h []
Bioavailability
The bioavailability of drug is 90% []
Half-life
The concentration or amount of drug in body reduced by one-half in 8 hours [2]
Vd
The volume of distribution (Vd) of drug is 0.6 L/kg []
Chemical Identifiers
Formula
C10H14F2N2O2
IUPAC Name
(2S)-2-[(4S)-4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]butanamide
Canonical SMILES
CC[C@@H](C(=O)N)N1C[C@@H](CC1=O)C=C(F)F
InChI
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
Cross-matching ID
PubChem CID
9942725
CAS Number
357336-74-4
UNII
RFR2CH3QZK
DrugBank ID
DB05885
TTD ID
D0L9AJ
INTEDE ID
DR1470

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Synaptic vesicle glycoprotein 2A (SV2A) TTT3P91 SV2A_HUMAN Binder [1]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 3A4 (CYP3A4)
Main DME 		DE4LYSA CP3A4_HUMAN Substrate [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Emerging drugs for epilepsy. Expert Opin Emerg Drugs. 2007 Sep;12(3):407-22.
2 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
3 Integrated analysis on the physicochemical properties of dihydropyridine calcium channel blockers in grapefruit juice interactions. Curr Pharm Biotechnol. 2012 Jul;13(9):1705-17.