CHEMBL42335


SMILES CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1
InChIKey KAXNWVHHUKHNDK-JOCHJYFZSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 535.2

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 6.17 6.17 6.17 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 5.33 5.33 5.33 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.85 8.85 8.85 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.11 5.11 5.11 ChEMBL
H1 HRH1 Human Histamine A pKi 7.04 7.04 7.04 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database