CHEMBL494678


SMILES CN1CCN(c2cc(-c3ccc(C#N)cc3)nc(N)n2)CC1
InChIKey QFKQUMBUFVKQBH-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 2
Molecular weight (Da) 294.2

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
H4 HRH4 Rat Histamine A pKi 6.56 6.56 6.56 ChEMBL
H3 HRH3 Rat Histamine A pKi 6.61 6.61 6.61 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 6.92 6.92 6.92 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.54 6.54 6.54 ChEMBL
H4 HRH4 Human Histamine A pKi 7.46 7.46 7.46 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 5.23 5.23 5.23 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 7.13 7.13 7.13 ChEMBL
H3 HRH3 Human Histamine A pKi 5.89 5.89 5.89 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.52 5.52 5.52 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.38 7.38 7.38 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.39 5.39 5.39 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H4 HRH4 Mouse Histamine A pEC50 6.91 6.91 6.91 ChEMBL
H4 HRH4 Rat Histamine A pEC50 5.33 6.6 7.23 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pEC50 5.79 5.79 5.79 ChEMBL