Compound Detail
CHEMBL382276
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Basic Information
| ChEMBL ID | CHEMBL382276 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCVXUVKSHFDJIV-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
244.3
MW (Da)
0.95
ALogP
3
HBA
1
HBD
52.2
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.46
Kd 1 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL3759 | Ki | 7.46 | 7.0 | 35.0 | 2 |
| Histamine H4 receptor CHEMBL3759 | Kd | 7.2 | 7.2 | 63.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | Ki | = | 35.0 | nM | 7.46 | Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK... | 16366610 |
| Histamine H4 receptor | Kd | = | 63.1 | nM | 7.2 | Antagonistic activity at human histamine H4 receptor in SK-N-MC cells by inhibit... | 16366610 |
| Histamine H4 receptor | Ki | = | 288.4 | nM | 6.54 | Displacement of [3H]histamine from human H4R expressed in Sf9 cells co-expressin... | 21944853 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16366610 | 10.1021/jm0502081 | Histamine H4 receptor | 2 |
| 21944853 | 10.1016/j.bmcl.2011.09.001 | Histamine H1 receptor | 2 |
| 21944853 | 10.1016/j.bmcl.2011.09.001 | Histamine H4 receptor | 1 |
Data from ChEMBL 36 via Core Engine