CHEMBL1962870


SMILES COc1ccccc1N1CCN(CC2CCC(c3ccccc3)(c3ccccc3)O2)CC1
InChIKey DKZVZJLNJPUMKG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 6
Molecular weight (Da) 428.2

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 8.05 8.05 8.05 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 8.41 8.41 8.41 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.36 8.36 8.36 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 9.19 9.19 9.19 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
TAAR5 TAAR5 Mouse A orphans A pIC50 5.32 5.32 5.32 ChEMBL