Compound Detail
CHEMBL4062122
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Basic Information
| ChEMBL ID | CHEMBL4062122 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VIJXBNYOIBJHGJ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
337.5
MW (Da)
4.70
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 7.66 | 7.66 | 22.0 | 1 |
| Histamine H4 receptor CHEMBL3759 | Ki | 4.79 | 4.79 | 16400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 22.0 | nM | 7.66 | Antagonist activity at H3 receptor (unknown origin) | 27718472 |
| Histamine H4 receptor | Ki | = | 16400.0 | nM | 4.79 | Antagonist activity at human H4 receptor expressed in CHO cells co-expressing Ga... | 27718472 |
| Histamine H4 receptor | Ki | = | 16400.0 | nM | 4.79 | 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 |
| 27718472 | 10.1016/j.ejmech.2016.09.074 | Histamine H3 receptor | 1 |
Data from ChEMBL 36 via Core Engine