Compound Detail
CHEMBL1770979
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Basic Information
| ChEMBL ID | CHEMBL1770979 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCCSMIHUOXEBSQ-SNVBAGLBSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
264.4
MW (Da)
0.92
ALogP
6
HBA
3
HBD
79.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 9.3
Ki 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL3759 | Kd | 9.3 | 9.3 | 0.5 | 1 |
| Histamine H4 receptor CHEMBL3759 | Ki | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | Kd | = | 0.5012 | nM | 9.3 | Antagonist activity at human histamine H4 receptor expressed in human SK-N-MC ce... | 21458260 |
| Histamine H4 receptor | Ki | = | 4.0 | nM | 8.4 | 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