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 |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
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 |
μ | OPRM | Human | Opioid | A | pKi | 6.04 | 6.04 | 6.04 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.83 | 6.83 | 6.83 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |