CHEMBL3752900


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

Chemical properties

Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 274.1

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 6.45 6.45 6.45 ChEMBL
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 5.68 5.68 5.68 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 6.05 6.05 6.05 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 6.67 6.67 6.67 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 6.1 6.1 6.1 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 5.88 5.88 5.88 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.77 6.77 6.77 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.2 6.2 6.2 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 7.13 7.13 7.13 ChEMBL
H1 HRH1 Human Histamine A pKi 7.0 7.0 7.0 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 6.28 6.28 6.28 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 7.09 7.09 7.09 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 7.16 7.16 7.16 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.52 7.52 7.52 ChEMBL
H3 HRH3 Human Histamine A pKi 5.8 5.8 5.8 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.69 6.69 6.69 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.85 6.85 6.85 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.39 6.39 6.39 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.23 7.23 7.23 ChEMBL
κ OPRK Human Opioid A pKi 6.09 6.09 6.09 ChEMBL
μ OPRM Human Opioid A pKi 5.55 5.55 5.55 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.73 5.73 5.73 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database