MK 6892


SMILES Oc1ccc(nc1)c1noc(n1)CC(C(=O)NC1=C(CCCC1)C(=O)O)(C)C
InChIKey CJHXBFSJXDUJHP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 6
Molecular weight (Da) 386.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 7XK2 8IYH 8J6I 8IHF 8IJD 8J6R 8JZ7

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
HCA2 HCAR2 Human Hydroxycarboxylic acid A pKi 6.22 7.31 8.4 ChEMBL
HCA2 HCAR2 Human Hydroxycarboxylic acid A pKi 8.4 8.4 8.4 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
HCA2 HCAR2 Human Hydroxycarboxylic acid A pEC50 7.8 7.8 7.8 ChEMBL
HCA2 HCAR2 Human Hydroxycarboxylic acid A pEC50 7.8 7.8 7.8 Guide to Pharmacology
HCA2 HCAR2 Rat Hydroxycarboxylic acid A pEC50 5.34 5.34 5.34 ChEMBL
HCA2 HCAR2 Mouse Hydroxycarboxylic acid A pEC50 6.62 6.62 6.62 ChEMBL