CHEMBL4125981


SMILES COc1cc2nc(N3CCN(C(=O)OCc4ccccc4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC
InChIKey FJHDZOUCRDBUGM-RTWAWAEBSA-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
α1B ADA1B Human Adrenoceptors A pKi 9.42 9.42 9.42 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKd 6.11 6.11 6.11 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.26 8.26 8.26 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 8.4 8.4 8.4 ChEMBL
α1D ADA1D Rat Adrenoceptors A pKd 6.62 6.62 6.62 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database