CHEMBL4461774


SMILES O=C1N(c2cccnc2C(F)(F)F)CC2(CCN(CCc3ccccc3F)CC2)OC12CC2
InChIKey QNSPFRSAEHVDGL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 463.2

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
α1A ADA1A Human Adrenoceptors A pKi 6.33 6.33 6.33 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.12 6.12 6.12 ChEMBL
μ OPRM Human Opioid A pKi 6.76 6.92 7.24 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Human Opioid A pEC50 6.71 6.71 6.71 ChEMBL