Compound Detail
CHEMBL4096444
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Basic Information
| ChEMBL ID | CHEMBL4096444 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWKZXEXTVBRZEL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
337.5
MW (Da)
4.56
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL3759 | Ki | 4.89 | 4.89 | 13000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | Ki | = | 13000.0 | nM | 4.89 | Antagonist activity at human H4 receptor expressed in CHO cells co-expressing Ga... | 27718472 |
| Histamine H4 receptor | Ki | = | 13000.0 | nM | 4.89 | Antagonist activity at human H4 receptor expressed in CHO cells co-expressing Ga... | 27718472 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27718472 | 10.1016/j.ejmech.2016.09.074 | Histamine H4 receptor | 3 |
Data from ChEMBL 36 via Core Engine