CHEMBL3808417


SMILES COc1cc(Cl)ccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2
InChIKey XGKGHBWGXPJYLK-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 12
Molecular weight (Da) 461.2

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Human Adrenoceptors A pIC50 5.67 5.67 5.67 ChEMBL
α1A ADA1A Human Adrenoceptors A pIC50 8.09 8.09 8.09 ChEMBL
α1D ADA1D Human Adrenoceptors A pIC50 6.71 6.71 6.71 ChEMBL