CHEMBL301077


SMILES COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc([N+](=O)[O-])cc2)CC1
InChIKey OYCNDOVCOWSGBD-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 577.2

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 6.89 6.89 6.89 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.96 8.96 8.96 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.38 6.38 6.38 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database