CHEMBL72657


SMILES COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccc(C)cc1
InChIKey UNHGFWKSHHCRHF-DQEYMECFSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 435.2

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
α1A ADA1A Bovine Adrenoceptors A pKi 9.46 9.46 9.46 ChEMBL
α1D ADA1D Rat Adrenoceptors A pKi 8.18 8.18 8.18 ChEMBL
α1B ADA1B Rat Adrenoceptors A pKi 7.2 7.2 7.2 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 7.68 7.68 7.68 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 8.75 8.75 8.75 ChEMBL
D2 DRD2 Rat Dopamine A pKi 7.06 7.06 7.06 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 9.46 9.46 9.46 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 6.05 6.05 6.05 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database