CHEMBL4291048


SMILES OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIKey FOLXSEMOHDUPCN-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 524.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D5 DRD5 Human Dopamine A pKi 6.36 6.36 6.36 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 6.12 6.12 6.12 ChEMBL
H2 HRH2 Human Histamine A pKi 6.6 6.6 6.6 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 5.8 5.8 5.8 ChEMBL
H1 HRH1 Human Histamine A pKi 6.09 6.09 6.09 ChEMBL
D4 DRD4 Human Dopamine A pKi 7.6 7.6 7.6 ChEMBL
D1 DRD1 Human Dopamine A pKi 6.52 6.52 6.52 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 5.78 5.78 5.78 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.75 6.75 6.75 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.4 6.4 6.4 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.32 6.32 6.32 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.79 6.79 6.79 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 5.9 5.9 5.9 ChEMBL
δ OPRD Human Opioid A pKi 5.81 5.81 5.81 ChEMBL
κ OPRK Human Opioid A pKi 6.18 6.18 6.18 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.83 6.83 6.83 ChEMBL
μ OPRM Human Opioid A pKi 6.04 6.04 6.04 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database