Compound Detail
CHEMBL128637
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Basic Information
| ChEMBL ID | CHEMBL128637 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXGZKMDGSBPVBI-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
273.3
MW (Da)
1.56
ALogP
3
HBA
1
HBD
48.6
PSA (Ų)
0.90
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL3759 | Ki | 6.0 | 5.585 | 1000.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | Ki | = | 1000.0 | nM | 6.0 | Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK ... | 22749391 |
| Histamine H4 receptor | Ki | = | 3000.0 | nM | 5.52 | Displacement of [3H]- histamine from the recombinant human histamine H4 receptor | 12954048 |
| Histamine H4 receptor | Ki | = | 3000.0 | nM | 5.52 | Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK... | 16366610 |
| Histamine H4 receptor | Ki | = | 5011.87 | nM | 5.3 | Displacement of [3H]histamine from wild type human histamine H4 receptor transfe... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12954048 | 10.1021/jm0341047 | Histamine H4 receptor | 1 |
| 16366610 | 10.1021/jm0502081 | Histamine H4 receptor | 1 |
| 22749391 | 10.1016/j.ejmech.2012.06.016 | Histamine H4 receptor | 1 |
| - | 10.1039/C2MD20212C | Histamine H4 receptor | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine