CHEMBL1088728


SMILES O=C(NC1CCCCC1)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2Cl)CC1
InChIKey RERBOKHPWNZETI-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 445.2

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 8.8 8.8 8.8 PDSP Ki database
CB1 CNR1 Human Cannabinoid A pKi 8.8 8.8 8.8 ChEMBL
CB2 CNR2 Human Cannabinoid A pKi 6.36 6.36 6.36 PDSP Ki database
CB2 CNR2 Human Cannabinoid A pKi 6.37 6.37 6.37 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CB1 CNR1 Human Cannabinoid A pIC50 8.04 8.04 8.04 ChEMBL