CGP 54626A


SMILES O[C@H](CP(=O)(CC1CCCCC1)O)CN[C@H](c1ccc(c(c1)Cl)Cl)C
InChIKey JGGVBBYJRQOPPA-BBRMVZONSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 8
Molecular weight (Da) 407.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 7CUM 7C7S

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
GABAB1 GABR1 Human GABAB C pKi 8.54 8.54 8.54 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
GABAB1 GABR1 Rat GABAB C pIC50 8.7 8.75 8.8 Guide to Pharmacology
GABAB1 GABR1 Human GABAB C pIC50 8.19 8.19 8.19 ChEMBL