CHEMBL145562


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

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 9
Molecular weight (Da) 578.2

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
α1B ADA1B Human Adrenoceptors A pKi 7.0 7.0 7.0 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.85 6.85 6.85 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 9.15 9.15 9.15 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database