CHEMBL2068762


SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1
InChIKey GKTQBPYMIGXPKG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 7
Molecular weight (Da) 423.2

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
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 6.64 6.64 6.64 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.5 6.5 6.5 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 7.62 7.62 7.62 ChEMBL
H2 HRH2 Human Histamine A pKi 6.52 6.52 6.52 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 8.04 8.04 8.04 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 6.32 6.32 6.32 ChEMBL
H1 HRH1 Human Histamine A pKi 6.82 6.82 6.82 ChEMBL
D4 DRD4 Human Dopamine A pKi 8.07 8.07 8.07 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.0 6.0 6.0 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.13 5.13 5.13 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 6.92 6.92 6.92 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 7.0 7.0 7.0 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 7.22 7.22 7.22 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.2 7.2 7.2 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.38 7.38 7.38 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.87 8.87 8.87 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.66 7.66 7.66 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pEC50 10.3 10.65 11.0 ChEMBL