CHEMBL43491


SMILES CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1
InChIKey RQTZTSPFFYDZKA-HSZRJFAPSA-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 7.0 7.0 7.0 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.82 6.82 6.82 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.84 6.84 6.84 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 5.83 5.83 5.83 ChEMBL
H1 HRH1 Human Histamine A pKi 7.24 7.24 7.24 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 9.7 9.7 9.7 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.89 5.89 5.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database