CHEMBL3342869


SMILES COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc(OC(F)(F)F)cc4)CC3)O2)CC1
InChIKey QCESWGLBLOFLSN-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 7
Molecular weight (Da) 571.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Human Adrenoceptors A pKi 6.83 6.83 6.83 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.05 8.05 8.05 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.58 7.58 7.58 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.16 7.16 7.16 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database