CHEMBL4752561


SMILES COc1cc(-c2cn([C@H]3CCc4ccccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1ccc(C)n1
InChIKey LMWVEVSLAFDIRE-QFIPXVFZSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 5
Molecular weight (Da) 496.2

Drug properties

Molecular type Unknown
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Human Adrenoceptors A pKi 5.0 5.0 5.0 ChEMBL
D4 DRD4 Human Dopamine A pKi 5.3 5.3 5.31 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 5.86 5.86 5.86 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database