compound 9n [PMID: 18752940]


SMILES C[C@@H](NC(=O)c1cnc2n(c1C)ncc2c1ccc(cc1)C(C)C)COc1ccccc1
InChIKey DJSWNINDPRRCLC-GOSISDBHSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 428.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 8JHY 8JII

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
HCA2 HCAR2 Human Hydroxycarboxylic acid A pEC50 6.77 6.77 6.77 Guide to Pharmacology
HCA2 HCAR2 Human Hydroxycarboxylic acid A pEC50 6.92 6.92 6.92 ChEMBL
HCA2 HCAR2 Human Hydroxycarboxylic acid A pIC50 6.77 6.77 6.77 ChEMBL