CHEMBL3735756


SMILES COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC
InChIKey SGVJKODGLNRNLW-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 12
Molecular weight (Da) 447.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 6.35 6.35 6.35 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 7.54 7.54 7.54 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.37 6.37 6.37 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 6.48 6.48 6.48 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.33 6.33 6.33 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 5.72 5.72 5.72 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 6.16 6.16 6.16 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.99 6.99 6.99 ChEMBL
H1 HRH1 Human Histamine A pKi 5.89 5.89 5.89 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKd 6.26 6.26 6.26 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.58 7.58 7.58 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.77 5.77 5.77 ChEMBL
D4 DRD4 Human Dopamine A pKi 6.07 6.07 6.07 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.4 6.4 6.4 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.09 6.09 6.09 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.78 6.78 6.78 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.3 6.3 6.3 ChEMBL
κ OPRK Human Opioid A pKi 6.44 6.44 6.44 ChEMBL
μ OPRM Human Opioid A pKi 6.47 6.47 6.47 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.76 5.76 5.76 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 6.1 6.1 6.1 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 4.9 4.9 4.9 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 5.3 5.3 5.3 ChEMBL