Compound Detail
CHEMBL493281
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Basic Information
| ChEMBL ID | CHEMBL493281 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RUYAYUXGAJYOPE-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
281.4
MW (Da)
1.23
ALogP
5
HBA
2
HBD
67.1
PSA (Ų)
0.82
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.04
EC50 1 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL4468 | Ki | 8.04 | 8.04 | 9.1 | 1 |
| Histamine H4 receptor CHEMBL4468 | EC50 | 7.62 | 7.62 | 24.0 | 1 |
| Histamine H4 receptor CHEMBL3759 | Ki | 7.28 | 7.28 | 52.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | Ki | = | 9.12 | nM | 8.04 | Displacement of [3H]histamine from rat histamine H4 receptor expressed in HEK293... | 18817367 |
| Histamine H4 receptor | EC50 | = | 23.99 | nM | 7.62 | Antagonist activity at rat histamine H4 receptor expressed in HEK293 cells asses... | 18817367 |
| Histamine H4 receptor | Ki | = | 52.48 | nM | 7.28 | Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK2... | 18817367 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18817367 | 10.1021/jm800670r | Histamine H4 receptor | 5 |
| 18817367 | 10.1021/jm800670r | Liver microsomes | 2 |
| 18817367 | 10.1021/jm800670r | ADMET | 1 |
| 18817367 | 10.1021/jm800670r | Rattus norvegicus | 1 |
| 18817367 | 10.1021/jm800670r | Homo sapiens | 1 |
| 18817367 | 10.1021/jm800670r | Cytochrome P450 3A4 | 1 |
| 18817367 | 10.1021/jm800670r | Cytochrome P450 2D6 | 1 |
| 18817367 | 10.1021/jm800670r | Cytochrome P450 2C9 | 1 |
Data from ChEMBL 36 via Core Engine