Compound Detail
CHEMBL260565
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Basic Information
| ChEMBL ID | CHEMBL260565 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKWXICSBZZLGCF-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
261.8
MW (Da)
2.64
ALogP
3
HBA
0
HBD
19.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A CHEMBL1899 | Ki | 6.6 | 6.6 | 251.2 | 1 |
| Histamine H4 receptor CHEMBL3759 | Ki | 6.23 | 6.215 | 588.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A | Ki | = | 251.19 | nM | 6.6 | Displacement of [3H]granisetron from human 5-HT3AR expressed in HEK293 cells aft... | 21782429 |
| Histamine H4 receptor | Ki | = | 588.84 | nM | 6.23 | Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK2... | 18357976 |
| Histamine H4 receptor | Ki | = | 630.96 | nM | 6.2 | Displacement of [3H]histamine from human H4R receptor expressed in HEK293 cells ... | 21782429 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18357976 | 10.1021/jm7014217 | Histamine H4 receptor | 1 |
| 21782429 | 10.1016/j.bmcl.2011.06.123 | Histamine H4 receptor | 1 |
| 21782429 | 10.1016/j.bmcl.2011.06.123 | 5-hydroxytryptamine receptor 3A | 1 |
Data from ChEMBL 36 via Core Engine