CHEMBL445071


SMILES COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cscc4c3=O)C[C@@H]21
InChIKey QOFCJVQVURHXTF-XJKSGUPXSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 397.1

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 Rat Adrenoceptors A pKi 9.28 9.28 9.28 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 9.0 9.0 9.0 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 9.32 9.32 9.32 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database