CHEMBL441032


SMILES COc1cnc2sc3c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c(=O)[nH]c3c2n1
InChIKey YUQDZLKVSOMLTN-XJKSGUPXSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 479.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Golden hamster Adrenoceptors A pKi 8.43 8.43 8.43 ChEMBL
α1D ADA1D Rat Adrenoceptors A pKi 8.96 8.96 8.96 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 9.46 9.46 9.46 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database