CHEMBL288768


SMILES CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1
InChIKey WLHRCQLHMHKOKG-JOCHJYFZSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 510.2

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 Human Adrenoceptors A pKi 5.98 5.98 5.98 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 5.98 5.98 5.98 ChEMBL
H1 HRH1 Human Histamine A pKi 7.2 7.2 7.2 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.74 8.74 8.74 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database