CHEMBL3753318


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

Chemical properties

Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 254.2

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 6.31 6.31 6.31 ChEMBL
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 5.49 5.49 5.49 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 5.87 5.87 5.87 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 6.4 6.4 6.4 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 5.75 5.75 5.75 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.36 6.36 6.36 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 5.96 5.96 5.96 ChEMBL
H1 HRH1 Human Histamine A pKi 6.17 6.17 6.17 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 5.9 5.9 5.9 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.71 6.71 6.71 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 6.13 6.13 6.13 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.22 7.22 7.22 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.5 6.5 6.5 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.16 6.16 6.16 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.14 6.14 6.14 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.5 7.5 7.5 ChEMBL
κ OPRK Human Opioid A pKi 5.91 5.91 5.91 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.29 5.29 5.29 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 6.81 6.81 6.81 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database