CHEMBL3752576


SMILES C=CCN(CC=C)CCc1c[nH]c2ccccc12
InChIKey LQEATNFJCMVKAC-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 240.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1E 5HT1E Human 5-Hydroxytryptamine A pKi 6.42 6.42 6.42 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 6.16 6.16 6.16 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 5.9 5.9 5.9 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.52 6.52 6.52 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.05 6.05 6.05 ChEMBL
H1 HRH1 Human Histamine A pKi 6.9 6.9 6.9 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 5.78 5.78 5.78 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.91 6.91 6.91 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 5.76 5.76 5.76 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.21 7.21 7.21 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.41 6.41 6.41 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.17 6.17 6.17 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.15 6.15 6.15 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.0 7.0 7.0 ChEMBL
κ OPRK Human Opioid A pKi 5.61 5.61 5.61 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database