CHEMBL42472


SMILES COc1cccc(OC)c1OCCNC[C@@H]1C[C@H](c2ccccc2)c2ccccc2O1
InChIKey DASDCIRXSWKVTA-RBBKRZOGSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 419.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1D ADA1D Rat Adrenoceptors A pKd 9.56 9.56 9.56 ChEMBL
α1B ADA1B Rat Adrenoceptors A pKd 7.54 7.54 7.54 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 10.4 10.4 10.4 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKd 8.88 8.91 8.95 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 10.05 10.05 10.05 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 10.3 10.3 10.3 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.19 8.19 8.19 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database