CHEMBL358595


SMILES CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1
InChIKey RCMQHQAAIDPTGY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 10
Molecular weight (Da) 592.3

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 Human Adrenoceptors A pKi 6.44 6.71 6.89 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 9.24 9.24 9.24 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.13 6.35 6.54 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.72 9.23 9.72 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database