General
Preferred name
ISOVALERAMIDE
Synonyms
3-Methylbutanamide ()
NPS 1776 ()
NFS1776 ()
NFS-1776 ()
NSC-402555 ()
P&D ID
PD000160
CAS
541-46-8
502641-01-2
Tags
available
drug candidate
Drug indication
Epilepsy
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
Isovaleramide is an anticonvulsant molecule isolated from Valeriana pavonii, it inhibits the liver alcohol dehydrogenases.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
9
BOC Sciences Bioactive Compounds
ChEMBL Drugs
Drug Repurposing Hub
DrugMAP
MedChem Express Bioactive Compound Library
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
26
Molecular Weight
101.08
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
0
Aromatic Ring Count
0
cLogP
0.52
TPSA
43.09
Fraction CSP3
0.8
Chiral centers
0.0
Largest ring
0.0
QED
0.54
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolism
Target
Alcohol DHO
Dehydrogenase
MOA
alcohol dehydrogenase inhibitor
Source data
