Details of the Drug

General Information of Drug (ID: DM0CF3B)

Drug Name
NPS 1776
Synonyms Isovaleramide
Indication
Disease Entry ICD 11 Status REF
Epilepsy 8A60-8A68 Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 101.15
Logarithm of the Partition Coefficient (xlogp) 0.4
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C5H11NO
IUPAC Name
3-methylbutanamide
Canonical SMILES
CC(C)CC(=O)N
InChI
InChI=1S/C5H11NO/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H2,6,7)
InChIKey
SANOUVWGPVYVAV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10930
CAS Number
541-46-8
TTD ID
D00DBH
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Fatty aldehyde dehydrogenase (ALDH3A2) TTB6UM0 AL3A2_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800010984)
2 Diverse Mechanisms of Antiepileptic Drugs in the Development Pipeline. Epilepsy Res. 2006 June; 69(3): 273-294.