CHEMBL570158


SMILES O=S(=O)(/N=C(\NCCCCCCCNc1c2c(nc3ccccc13)CCCC2)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1)c1ccc(Cl)cc1
InChIKey REGUYCWTBDAZDP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 13
Molecular weight (Da) 766.3

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 pKd 7.4 7.4 7.4 ChEMBL
CB1 CNR1 Human Cannabinoid A pKi 7.27 7.27 7.27 ChEMBL
CB1 CNR1 Human Cannabinoid A pKi 7.27 7.27 7.27 PDSP Ki database
CB2 CNR2 Human Cannabinoid A pKi 6.0 6.0 6.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database