CHEMBL4128084


SMILES COc1cc2nc(N3CCN(C(=O)OCc4ccccc4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC
InChIKey FJHDZOUCRDBUGM-LEWJYISDSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 477.2

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
α1A ADA1A Human Adrenoceptors A pKi 9.3 9.3 9.3 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 9.72 9.72 9.72 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 10.4 10.4 10.4 ChEMBL
α1D ADA1D Rat Adrenoceptors A pKd 9.28 9.28 9.28 ChEMBL
α1B ADA1B Rat Adrenoceptors A pKd 8.74 8.74 8.74 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKd 7.79 7.79 7.79 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database