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

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.