General
Preferred name
Virstatin
Synonyms
4-NAPHTHALIMIDOBUTYRIC ACID ()
ISODIBUT ()
P&D ID
PD001398
CAS
88909-96-0
Tags
available
drug candidate
Drug indication
Acinetobacter baumannii infection
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
Virstatin is an inhibitor of the virulence transcriptional activator ToxT of V. cholerae. It prevents expression of the two major V. cholerae virulence factors, cholera toxin (CT) and the toxin coregulated pilus, by inhibiting ToxT.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
8
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
Drug Repurposing Hub
DrugMAP
DrugMatrix
Enamine BioReference Compounds
ReFrame library
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
18
Molecular Weight
283.08
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
4
Ring Count
3
Aromatic Ring Count
2
cLogP
2.3
TPSA
74.68
Fraction CSP3
0.19
Chiral centers
0.0
Largest ring
6.0
QED
0.87
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
MOA
aldehyde reductase inhibitor
Solubility
Soluble in DMF, DMSO
Source data
