Compound Detail
CHEMBL1770972
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Basic Information
| ChEMBL ID | CHEMBL1770972 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQALDOIDJJPUHL-LLVKDONJSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
261.4
MW (Da)
1.06
ALogP
5
HBA
2
HBD
57.4
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.8
Ki 1 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL3759 | Kd | 7.8 | 7.8 | 15.8 | 1 |
| Histamine H4 receptor CHEMBL3759 | Ki | 7.11 | 7.11 | 77.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | Kd | = | 15.85 | nM | 7.8 | Antagonist activity at human histamine H4 receptor expressed in human SK-N-MC ce... | 21458260 |
| Histamine H4 receptor | Ki | = | 77.0 | nM | 7.11 | Displacement of [3H]histamine from human histamine H4 receptor | 21458260 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21458260 | 10.1016/j.bmcl.2011.03.017 | Histamine H4 receptor | 3 |
Data from ChEMBL 36 via Core Engine