CHEMBL216443


SMILES COc1cc2nc(N3CCN(C(=O)c4cccc(CNCCCCCCNCCSSCCNCCCCCCNCc5cccc(C(=O)N6CCN(c7nc(N)c8cc(OC)c(OC)cc8n7)CC6)c5)c4)CC3)nc(N)c2cc1OC
InChIKey LWYWVWVBCDLOEW-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 20
Hydrogen bond donors 6
Rotatable bonds 33
Molecular weight (Da) 1160.6

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
α1D ADA1D Rat Adrenoceptors A pIC50 7.09 7.09 7.09 ChEMBL
α1B ADA1B Rat Adrenoceptors A pIC50 4.26 4.26 4.26 ChEMBL
α1A ADA1A Rat Adrenoceptors A pIC50 5.41 5.41 5.41 ChEMBL