Compound Detail
CHEMBL3752655
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Basic Information
| ChEMBL ID | CHEMBL3752655 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLEVEIZPGVCIAI-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
399.6
MW (Da)
3.68
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.0
IC50 1 meas. best 6.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 9.0 | 8.535 | 1.0 | 2 |
| Histamine H3 receptor CHEMBL264 | IC50 | 6.56 | 6.56 | 273.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 1.0 | nM | 9.0 | Binding affinity to recombinant human H3 receptor | 26731168 |
| Histamine H3 receptor | Ki | = | 8.6 | nM | 8.07 | Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor | 26731168 |
| Histamine H3 receptor | IC50 | = | 273.9 | nM | 6.56 | Antagonist activity at recombinant human H3 receptor expressed on CHO-K1 cells a... | 26731168 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26731168 | 10.1016/j.ejmech.2015.12.005 | Histamine H3 receptor | 3 |
Data from ChEMBL 36 via Core Engine