CHEMBL43909


SMILES COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncc(-c6ccccc6)nc54)c3=O)C[C@@H]21
InChIKey QQGYNGUUZMLKBV-GHTZIAJQSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 525.2

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 6.92 6.92 6.92 ChEMBL
α1D ADA1D Rat Adrenoceptors A pKi 7.7 7.7 7.7 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 8.41 8.41 8.41 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database