AM841


SMILES S=C=NCCCCCCC(c1cc(O)c2c(c1)OC([C@H]1[C@H]2C[C@H](CO)CC1)(C)C)(C)C
InChIKey JCIYJYHFBBXSBF-HMXCVIKNSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 445.3

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 5XR8 6KPG 8WRZ

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CB1 CNR1 Human Cannabinoid A pKi 8.94 8.94 8.94 Guide to Pharmacology
CB2 CNR2 Mouse Cannabinoid A pKi 9.1 9.1 9.1 ChEMBL
CB2 CNR2 Human Cannabinoid A pKi 8.5 8.5 8.5 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CB1 CNR1 Human Cannabinoid A pEC50 8.24 8.24 8.24 ChEMBL
CB2 CNR2 Human Cannabinoid A pEC50 8.26 8.26 8.26 ChEMBL