Compound Detail
CHEMBL1770969
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Basic Information
| ChEMBL ID | CHEMBL1770969 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SGPLDGDCOVIGGN-SNVBAGLBSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
249.4
MW (Da)
1.28
ALogP
5
HBA
3
HBD
66.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.52
Kd 1 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL3759 | Kd | 8.8 | 8.8 | 1.6 | 1 |
| Histamine H4 receptor CHEMBL3759 | Ki | 8.52 | 8.515 | 3.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | Kd | = | 1.585 | nM | 8.8 | Antagonist activity at human histamine H4 receptor expressed in human SK-N-MC ce... | 21458260 |
| Histamine H4 receptor | Ki | = | 3.0 | nM | 8.52 | Displacement of [3H]histamine from human histamine H4 receptor | 21458260 |
| Histamine H4 receptor | Ki | = | 3.1 | nM | 8.51 | Displacement of [3H]histamine from human recombinant histamine H4 receptor | 25455490 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21458260 | 10.1016/j.bmcl.2011.03.017 | Histamine H4 receptor | 3 |
| 25455490 | 10.1016/j.bmcl.2014.10.013 | No relevant target | 1 |
| 25455490 | 10.1016/j.bmcl.2014.10.013 | Histamine H4 receptor | 1 |
Data from ChEMBL 36 via Core Engine