CHEMBL3754166


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

Chemical properties

Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 318.1

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 6.29 6.29 6.29 ChEMBL
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 5.62 5.62 5.62 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 6.02 6.02 6.02 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 6.9 6.9 6.9 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 5.95 5.95 5.95 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.64 6.64 6.64 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.4 6.4 6.4 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 7.31 7.31 7.31 ChEMBL
H1 HRH1 Human Histamine A pKi 7.0 7.0 7.0 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 6.2 6.2 6.2 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 7.08 7.08 7.08 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 6.88 6.88 6.88 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.28 7.28 7.28 ChEMBL
H3 HRH3 Human Histamine A pKi 5.83 5.83 5.83 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.45 6.45 6.45 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.62 6.62 6.62 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.32 6.32 6.32 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.0 8.0 8.0 ChEMBL
κ OPRK Human Opioid A pKi 6.05 6.05 6.05 ChEMBL
μ OPRM Human Opioid A pKi 5.76 5.76 5.76 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.36 5.36 5.36 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 5.7 5.7 5.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database