MRL-CB1-NC


SMILES CC(=O)c1c(NS(C)(=O)=O)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2n(C)c1=O
InChIKey HSEQWGUPLOFKEC-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 549.0

Drug properties

Molecular type Unknown
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α2B ADA2B Human Adrenoceptors A pKi 5.77 5.77 5.77 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 5.0 5.0 5.0 ChEMBL
β3 ADRB3 Human Adrenoceptors A pKi 5.9 5.93 5.95 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 7.66 7.67 7.7 ChEMBL
δ OPRD Human Opioid A pKi 5.85 5.85 5.85 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.74 5.74 5.74 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CB1 CNR1 Human Cannabinoid A pIC50 7.49 7.49 7.49 ChEMBL