CHEMBL68913


SMILES COc1cc(N2C(=O)c3ccc(C(=O)NCC(O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc(OC)c1OC
InChIKey ZVZCHVBOZRWHPS-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 12
Molecular weight (Da) 632.3

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
α1D ADA1D Human Adrenoceptors A pKi 6.82 6.82 6.82 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.91 8.91 8.91 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database