nicotinic acid


SMILES OC(=O)c1cccnc1
InChIKey PVNIIMVLHYAWGP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 1
Molecular weight (Da) 123.0

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 8J6P 8K5B 8IJA 8JIL 8H2G 8JII

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
HCA2 HCAR2 Human Hydroxycarboxylic acid A pKd 7.0 7.15 7.3 Guide to Pharmacology
HCA2 HCAR2 Rat Hydroxycarboxylic acid A pKi 7.48 7.48 7.48 ChEMBL
HCA2 HCAR2 Human Hydroxycarboxylic acid A pKi 6.98 7.12 7.3 ChEMBL
HCA2 HCAR2 Human Hydroxycarboxylic acid A pKi 8.14 8.14 8.14 Drug Central
HCA2 HCAR2 Rat Hydroxycarboxylic acid A pKi 8.13 8.13 8.13 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
HCA2 HCAR2 Human Hydroxycarboxylic acid A pEC50 6.0 6.6 7.2 Guide to Pharmacology
HCA3 HCAR3 Human Hydroxycarboxylic acid A pEC50 4.0 5.26 6.52 Guide to Pharmacology
HCA2 HCAR2 Mouse Hydroxycarboxylic acid A pEC50 6.57 7.22 7.54 ChEMBL
HCA2 HCAR2 Mouse Hydroxycarboxylic acid A pIC50 6.85 6.85 6.85 ChEMBL
HCA2 HCAR2 Rat Hydroxycarboxylic acid A pEC50 6.17 7.0 7.41 ChEMBL
HCA3 HCAR3 Human Hydroxycarboxylic acid A pEC50 4.12 4.12 4.12 ChEMBL
HCA2 HCAR2 Human Hydroxycarboxylic acid A pEC50 5.3 6.64 8.06 ChEMBL
HCA2 HCAR2 Human Hydroxycarboxylic acid A pIC50 4.17 6.62 6.89 ChEMBL
HCA3 HCAR3 Human Hydroxycarboxylic acid A pEC50 8.19 8.19 8.19 Drug Central
HCA2 HCAR2 Mouse Hydroxycarboxylic acid A pIC50 8.16 8.16 8.16 Drug Central