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 8IY9 8J6L 8H2G 9IQT 8IJA 8J6P 8JIL 8JII 8K5B

Bioactivities

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