CHEMBL40325


SMILES COc1cccc(OC)c1OCCNC[C@H]1C[C@H](c2ccccc2)c2ccccc2S1
InChIKey JGLLHUJRQIQLNY-IFMALSPDSA-N

Chemical properties

Hydrogen bond acceptors 5
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

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1D ADA1D Rat Adrenoceptors A pKd 7.21 7.21 7.21 ChEMBL
α1B ADA1B Rat Adrenoceptors A pKd 6.52 6.52 6.52 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 7.56 7.56 7.56 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKd 6.68 6.82 6.97 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.64 7.64 7.64 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.63 8.63 8.63 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.99 7.99 7.99 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database