ML290


SMILES CC(Oc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(c1)S(=O)(=O)C(F)(F)F)C
InChIKey RSYHJSDOGMSLDH-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 506.1

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 6.39 6.39 6.39 ChEMBL
CB1 CNR1 Human Cannabinoid A pKi 8.64 8.64 8.64 ChEMBL
CB1 CNR1 Human Cannabinoid A pKi 8.64 8.64 8.64 PDSP Ki database
CB2 CNR2 Human Cannabinoid A pKi 6.39 6.39 6.39 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CB1 CNR1 Human Cannabinoid A pIC50 6.79 6.79 6.79 ChEMBL