Compound Detail
CHEMBL2047449
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Basic Information
| ChEMBL ID | CHEMBL2047449 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YOCWEXPRDLKOBV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
291.8
MW (Da)
2.52
ALogP
2
HBA
1
HBD
39.3
PSA (Ų)
0.88
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL3759 | Ki | 8.2 | 8.2 | 6.3 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.75 | hr | Homo sapiens |
| T1/2 | 0.03333 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | Ki | = | 6.31 | nM | 8.2 | Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK ... | 22749391 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22749391 | 10.1016/j.ejmech.2012.06.016 | Histamine H4 receptor | 1 |
| 22749391 | 10.1016/j.ejmech.2012.06.016 | Liver microsomes | 1 |
| 22749391 | 10.1016/j.ejmech.2012.06.016 | Liver | 1 |
| 22749391 | 10.1016/j.ejmech.2012.06.016 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine