Sch.336


SMILES COc1ccc(c(c1)S(=O)(=O)c1ccc(cc1)OC)S(=O)(=O)c1ccc(cc1)[C@@H](NS(=O)(=O)C)C
InChIKey NXODIUKWAVUFGF-INIZCTEOSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 539.1

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
CB1 CNR1 Human Cannabinoid A pKi 6.04 6.04 6.04 Guide to Pharmacology
CB2 CNR2 Human Cannabinoid A pKi 9.07 9.07 9.07 Guide to Pharmacology
CB2 CNR2 Human Cannabinoid A pKi 8.35 8.88 9.4 ChEMBL
CB1 CNR1 Human Cannabinoid A pKi 6.04 6.57 7.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CB1 CNR1 Human Cannabinoid A pEC50 6.7 6.7 6.7 Guide to Pharmacology