W-84


SMILES O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2
InChIKey WDAXQFXYXWPELC-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 15
Molecular weight (Da) 548.3

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CB2 CNR2 Human Cannabinoid A pKi 8.1 8.1 8.1 Guide to Pharmacology
CB1 CNR1 Rat Cannabinoid A pKi 6.55 6.55 6.55 ChEMBL
CB2 CNR2 Human Cannabinoid A pKi 7.66 7.98 8.47 ChEMBL
CB1 CNR1 Human Cannabinoid A pKi 5.3 5.85 6.55 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CB2 CNR2 Human Cannabinoid A pIC50 8.47 8.47 8.47 ChEMBL
CB2 CNR2 Human Cannabinoid A pEC50 7.79 7.79 7.79 ChEMBL
CB1 CNR1 Human Cannabinoid A pEC50 5.98 5.98 5.98 ChEMBL
CB1 CNR1 Human Cannabinoid A pIC50 6.55 6.55 6.55 ChEMBL
CB2 CNR2 Rat Cannabinoid A pEC50 6.5 6.58 6.67 ChEMBL