General
Preferred name
Benzhydroxamic Acid
Synonyms
Benzohydroxamic acid ()
BHA ()
BENZOHYDROXAMATE ()
P&D ID
PD008295
CAS
495-18-1
1005-00-1
Tags
available
drug candidate
Drug Status
experimental
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Benzohydroxamic acid (BHA) is a chitin deacetylase (CDA) inhibitor with significant antifungal activity. The Ki values of BHA against the CDAs of Verticillium dahliae and Puccinia striiformis f. sp. tritici are 8.31 ¦ÌM and 9.83 ¦ÌM, respectively. Benzohydroxamic acid can restore the defense responses of infected host plants, upregulate the expression of defense-related genes, and reduce the growth and reproduction of fungi in plants. Benzohydroxamic acid can be used in the research of the field of controlling agricultural fungal diseases, such as various plant fungal diseases caused by Verticillium dahliae, Puccinia striiformis and other fungi, like cotton wilt and wheat stripe rust [1].
DESCRIPTION Benzohydroxamic acid inhibits histone deacetylase 6, histone deacetylase 8, histone deacetylase 1, histone deacetylase 3 and histone deacetylase 2 with IC50s values of 0.115, 1.92, 4.73, 7.83, 7.92 µM, respectively. (Enamine Bioactive Compounds)
Cell lines
1
Organisms
1
Compound Sets
4
DrugBank
DB01924
Enamine Bioactive Compounds
EBC-48140
MedChem Express Bioactive Compound Library
HY-Y1058
The Spectrum Collection
External IDs
36
Properties
(calculated by RDKit )
Molecular Weight
137.05
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
1
Ring Count
1
Aromatic Ring Count
1
cLogP
0.81
TPSA
49.33
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.44
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Fungal
Pathway
Anti-infection
Source data