CHEMBL2391541


SMILES C=CCN(CC=C)CCc1c[nH]c2ccc(OC)cc12
InChIKey HGRHWEAUHXYNNP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 270.2

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-HT1E 5HT1E Human 5-Hydroxytryptamine A pKi 6.3 6.35 6.38 ChEMBL
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 5.48 5.48 5.48 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 6.13 6.64 6.89 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 6.8 6.86 7.0 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.14 6.14 6.14 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 5.83 6.14 6.3 ChEMBL
H2 HRH2 Human Histamine A pKi 5.37 5.37 5.37 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 7.05 7.53 7.77 ChEMBL
H1 HRH1 Human Histamine A pKi 5.9 6.08 6.3 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.67 6.67 6.67 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 6.81 6.99 7.08 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.23 7.4 7.5 ChEMBL
H3 HRH3 Human Histamine A pKi 5.77 5.77 5.77 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.76 5.95 6.34 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.3 6.3 6.31 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.26 6.46 6.66 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.76 7.23 7.72 ChEMBL
κ OPRK Human Opioid A pKi 5.95 5.95 5.95 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pEC50 8.26 8.26 8.26 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pEC50 8.03 8.03 8.03 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pEC50 7.56 8.05 8.55 ChEMBL