CHEMBL40780


SMILES COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cc(C#N)ccc54)c3=O)C[C@@H]21
InChIKey BEGSWXFCPNJFKG-OXJNMPFZSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 472.2

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
α1B ADA1B Golden hamster Adrenoceptors A pKi 8.21 8.21 8.21 ChEMBL
α1D ADA1D Rat Adrenoceptors A pKi 9.13 9.13 9.13 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 9.4 9.4 9.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database