Compound Detail
CHEMBL1783897
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Basic Information
| ChEMBL ID | CHEMBL1783897 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZRTGKKHEPIANGY-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
319.4
MW (Da)
2.43
ALogP
4
HBA
0
HBD
39.9
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 9.24
Ki 1 meas. best 8.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Kd | 9.24 | 9.24 | 0.6 | 1 |
| Histamine H3 receptor CHEMBL264 | Ki | 8.47 | 8.47 | 3.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Kd | = | 0.5754 | nM | 9.24 | Antagonist activity at human histamine H3 receptor expressed in SK-N-MC cells as... | 19577344 |
| Histamine H3 receptor | Ki | = | 3.4 | nM | 8.47 | Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor exp... | 19577344 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19577344 | 10.1016/j.ejmech.2009.06.007 | Histamine H3 receptor | 2 |
Data from ChEMBL 36 via Core Engine