CHEMBL43594


SMILES CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C
InChIKey LEVRYVCMBBJQLU-HSZRJFAPSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 549.2

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
α2B ADA2B Human Adrenoceptors A pKi 5.75 5.75 5.75 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 5.18 5.18 5.18 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.15 8.15 8.15 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 4.87 4.87 4.87 ChEMBL
H1 HRH1 Human Histamine A pKi 6.21 6.21 6.21 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database