Compound Detail
CHEMBL185958
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Basic Information
| ChEMBL ID | CHEMBL185958 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NEDCXGJXFFJREP-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
378.5
MW (Da)
4.19
ALogP
4
HBA
0
HBD
42.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.33
Ki 1 meas. best 8.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 8.43 | 8.43 | 3.7 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | IC50 | 7.33 | 7.33 | 47.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 3.7 | nM | 8.43 | Binding affinity against human 5-hydroxytryptamine 6 receptor transfected in HeL... | 15482912 |
| 5-hydroxytryptamine receptor 6 | IC50 | = | 47.0 | nM | 7.33 | Inhibitory concentration against human 5-hydroxytryptamine 6 receptor transfecte... | 15482912 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15482912 | 10.1016/j.bmcl.2004.09.003 | 5-hydroxytryptamine receptor 6 | 3 |
Data from ChEMBL 36 via Core Engine