CHEMBL44496


SMILES COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C(C)c2ccc([N+](=O)[O-])cc2)CC1
InChIKey HPZXFJLEWNDGNJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 453.2

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 5.77 5.77 5.77 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.33 7.33 7.33 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 5.77 5.77 5.77 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database