CHEMBL288678


SMILES COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncncc54)c3=O)C[C@@H]21
InChIKey MRHWXGAMNCRZQE-SUMWQHHRSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 449.2

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 7.81 7.81 7.81 ChEMBL
α1D ADA1D Rat Adrenoceptors A pKi 8.68 8.68 8.68 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 9.17 9.17 9.17 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database