Compound Detail
CHEMBL494648
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Basic Information
| ChEMBL ID | CHEMBL494648 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XVSFXGNIAZCOPM-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
299.4
MW (Da)
1.49
ALogP
6
HBA
1
HBD
67.5
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.94
Ki 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL3759 | Ki | 7.8 | 7.8 | 15.8 | 1 |
| Histamine H4 receptor CHEMBL4468 | EC50 | 6.94 | 6.94 | 114.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | Ki | = | 15.85 | nM | 7.8 | Displacement of [3H]histamine from wild type human histamine H4 receptor transfe... | - |
| Histamine H4 receptor | EC50 | = | 114.82 | nM | 6.94 | Agonist activity at rat histamine H4 receptor expressed in HEK293 cells coexpres... | 18811133 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18811133 | 10.1021/jm8005959 | Histamine H4 receptor | 3 |
| - | 10.1039/C2MD20212C | Histamine H4 receptor | 1 |
Data from ChEMBL 36 via Core Engine