[3H](-)CGP12177


SMILES O[C@H](COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C
InChIKey UMQUQWCJKFOUGV-VIFPVBQESA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 4
Rotatable bonds 5
Molecular weight (Da) 279.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 ADRB1 Human Adrenoceptors A pKd 9.2 9.3 9.4 Guide to Pharmacology
β1 ADRB1 Human Adrenoceptors A pKi 9.6 9.6 9.6 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 10.0 10.0 10.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 5.45 5.45 5.45 ChEMBL