CHEMBL4075278


SMILES O=C1CCc2cc(Nc3cc(OC4CCOCC4)c([N+](=O)[O-])cc3Cl)ccc2N1
InChIKey RRELDGDKULRRDM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 417.1

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
α2B ADA2B Human Adrenoceptors A pKi 5.77 5.77 5.77 ChEMBL
β3 ADRB3 Human Adrenoceptors A pKi 5.95 5.95 5.95 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 7.66 7.66 7.66 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.74 5.74 5.74 ChEMBL
δ OPRD Human Opioid A pKi 5.85 5.85 5.85 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