CHEMBL3342870


SMILES COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)O2)CC1
InChIKey KTBIQCRMHWZGGG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 0
Rotatable bonds 7
Molecular weight (Da) 532.2

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
α1B ADA1B Human Adrenoceptors A pKi 6.96 6.96 6.96 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 8.24 8.24 8.24 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.28 8.28 8.28 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.61 7.61 7.61 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database