CHEMBL145547


SMILES COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3[N+](=O)[O-])C[C@@H]2C)C1c1ccc(F)c(F)c1
InChIKey JCWKQYAUPMXURC-LFUZPPSTSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 586.2

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 7.31 7.31 7.31 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.47 7.47 7.47 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 10.7 10.7 10.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database