Compound Detail
CHEMBL282413
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CN1CCc2cccc3c2[C@H]1Cc1cccc(-c2c(OS(=O)(=O)C(F)(F)F)cccc2OS(=O)(=O)C(F)(F)F)c1-3
Basic Information
| ChEMBL ID | CHEMBL282413 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PNFSZBQKXYOEES-GOSISDBHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
607.5
MW (Da)
5.56
ALogP
7
HBA
0
HBD
90.0
PSA (Ų)
0.21
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3223 | Ki | 6.15 | 6.15 | 708.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.65 | 5.65 | 2260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 708.0 | nM | 6.15 | Displacement of [3H]5-HT from rat 5-hydroxytryptamine 7 receptor expressed in CH... | 11311055 |
| D(2) dopamine receptor | Ki | = | 2260.0 | nM | 5.65 | Displacement of [3H]raclopride from human dopamine receptor D2A expressed in mou... | 11311055 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11311055 | 10.1021/jm0108505 | 5-hydroxytryptamine receptor 7 | 1 |
| 11311055 | 10.1021/jm0108505 | 5-hydroxytryptamine receptor 1A | 1 |
| 11311055 | 10.1021/jm0108505 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine