butyric acid

Ligand id: 1059

Name: butyric acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 37.3
Molecular weight 88.05
XLogP 0.74
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Bioactivity Comments
Butyric acid has high nM inhibitory action at class I HDACs, with IC50s ranging from 9000-16000 nM [2]. Inhibition of class II HDACs is even lower with IC50s greater than 2,000,000 nM[2].
Transporters Moving this Compound Across a Lipid Membrane
Transporter EC number Reaction Reference
SMCT1
Fatty acid transport protein 1 5
Fatty acid transport protein 4 7
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
FFA3 receptor Hs Agonist Full agonist 3.8 – 4.9 pEC50 - 1,3,6,9
pEC50 3.8 – 4.9 [1,3,6,9]
FFA2 receptor Hs Agonist Full agonist 2.9 – 4.6 pEC50 - 1,3-4,6
pEC50 2.9 – 4.6 [1,3-4,6]
HCA2 receptor Hs Agonist Agonist 2.8 pEC50 -
pEC50 2.8
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
histone deacetylase 3 Hs Inhibitor Inhibition 5.1 pIC50 - 2
pIC50 5.1 (IC50 9x10-6 M) [2]
histone deacetylase 2 Hs Inhibitor Inhibition 4.9 pIC50 - 2
pIC50 4.9 (IC50 1.2x10-5 M) [2]
histone deacetylase 8 Hs Inhibitor Inhibition 4.8 pIC50 - 2
pIC50 4.8 (IC50 1.5x10-5 M) [2]
histone deacetylase 1 Hs Inhibitor Inhibition 4.8 pIC50 - 2
pIC50 4.8 (IC50 1.6x10-5 M) [2]
Additional information and targets (data relate to human unless otherwise stated)
Description Data Reference
Ligand mentioned in the following text fields