CHEMBL42763


SMILES Cc1ccc(C(C(=O)NCCCN2CCC(C#N)(c3ccccc3C(F)(F)F)CC2)c2ccc(C)cc2)cc1
InChIKey ORUJCINTLKUHJM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 533.3

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 Human Adrenoceptors A pKi 5.72 5.72 5.72 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.66 7.66 7.66 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 5.5 5.5 5.5 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database