CHEMBL291166


SMILES CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C
InChIKey PEDXQUUSXXYPJU-HSZRJFAPSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 524.2

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 6.37 6.37 6.37 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.06 6.06 6.06 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.11 6.11 6.11 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 5.96 5.96 5.96 ChEMBL
H1 HRH1 Human Histamine A pKi 6.45 6.45 6.45 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.73 5.73 5.73 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.72 8.72 8.72 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database