CHEMBL97698


SMILES COc1cc2nc(N3CCN(C(=O)c4ccco4)C4CCCCC43)nc(N)c2cc1OC
InChIKey XBRXTUGRUXGBPX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 437.2

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 Golden hamster Adrenoceptors A pKi 9.34 9.34 9.34 ChEMBL
α1A ADA1A Bovine Adrenoceptors A pKi 8.18 8.23 8.29 ChEMBL
α1D ADA1D Rat Adrenoceptors A pKi 9.07 9.18 9.28 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 9.23 9.23 9.23 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 8.41 8.41 8.41 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 5.16 5.16 5.16 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database