CHEMBL179743


SMILES COc1cc2nc(N3CCN(C4=CC(=O)c5ccccc5C4=O)CC3)nc(N)c2cc1OC
InChIKey WDWPULBPXBZDDC-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 445.2

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 9.05 9.05 9.05 ChEMBL
α1B ADA1B Rat Adrenoceptors A pKd 8.51 8.51 8.51 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKd 7.64 7.64 7.64 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 9.03 9.03 9.03 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.9 8.9 8.9 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 9.17 9.17 9.17 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database