propanoic acid   Click here for help

GtoPdb Ligand ID: 1062

Synonyms: propionate
PDB Ligand
Compound class: Metabolite
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 37.3
Molecular weight 74.04
XLogP 0.17
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CCC(=O)O
Isomeric SMILES CCC(=O)O
InChI InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
InChI Key XBDQKXXYIPTUBI-UHFFFAOYSA-N
Natural/Endogenous Targets
Target
FFA2 receptor
FFA3 receptor
Transporters Moving this Compound Across a Lipid Membrane
Transporter EC number Reaction Reference
SMCT1
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
FFA3 receptor Ligand is endogenous in the given species Hs Agonist Full agonist 3.9 – 5.7 pEC50 - 1-2,4-5
pEC50 3.9 – 5.7 [1-2,4-5]
FFA2 receptor Ligand is endogenous in the given species Hs Agonist Full agonist 3.0 – 4.9 pEC50 - 1-4
pEC50 3.0 – 4.9 [1-4]
Ligand mentioned in the following text fields