CGP 12177


SMILES OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C
InChIKey UMQUQWCJKFOUGV-UHFFFAOYSA-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

Ligand site mutations β1 β2 β3

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 ADRB1 Human Adrenoceptors A pKi 8.8 9.23 9.3 Guide to Pharmacology
β2 ADRB2 Human Adrenoceptors A pKi 9.4 9.4 9.4 Guide to Pharmacology
β2 ADRB2 Human Adrenoceptors A pKd 9.82 9.82 9.82 Guide to Pharmacology
β3 ADRB3 Human Adrenoceptors A pKi 6.1 6.7 7.3 Guide to Pharmacology
β3 ADRB3 Human Adrenoceptors A pKd 7.0 7.0 7.0 Guide to Pharmacology
β3 ADRB3 Mouse Adrenoceptors A pKi 6.8 6.8 6.8 Guide to Pharmacology
β3 ADRB3 Rat Adrenoceptors A pKi 6.8 6.8 6.8 Guide to Pharmacology
β2 ADRB2 Human Adrenoceptors A pKd 7.72 8.71 9.7 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 8.35 8.35 8.35 PDSP Ki database
β3 ADRB3 Human Adrenoceptors A pKi 7.11 7.11 7.11 PDSP Ki database
β2 ADRB2 Human Adrenoceptors A pKi 8.37 8.37 8.37 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 ADRB1 Human Adrenoceptors A pEC50 7.91 7.91 7.91 ChEMBL
β3 ADRB3 Human Adrenoceptors A pEC50 5.7 5.7 5.7 ChEMBL