ICI118551


SMILES Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O
InChIKey VFIDUCMKNJIJTO-XJKSGUPXSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 277.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 6PS4 3NY8

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β3 ADRB3 Human Adrenoceptors A pKi 5.8 6.2 6.6 Guide to Pharmacology
β2 ADRB2 Human Adrenoceptors A pKd 6.2 7.86 9.52 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 9.1 9.25 9.4 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database