CHEMBL91125


SMILES COCC1=C(C(=O)NCCCN2CCC(c3ccccn3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1
InChIKey OFCHYNGUGWDBBL-XMMPIXPASA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 9
Molecular weight (Da) 499.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Human Adrenoceptors A pKi 6.63 6.63 6.63 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.3 6.3 6.3 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 9.35 9.35 9.35 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database