Compound Detail
CHEMBL446011
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Basic Information
| ChEMBL ID | CHEMBL446011 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXUFCVQAMIUJMP-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
237.1
MW (Da)
2.76
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.2
Ki 1 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 6.38 | 6.38 | 416.9 | 1 |
| Histamine H3 receptor CHEMBL264 | EC50 | 6.2 | 6.2 | 631.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 416.87 | nM | 6.38 | Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor exp... | 18433114 |
| Histamine H3 receptor | EC50 | = | 630.96 | nM | 6.2 | Agonist activity at human histamine H3 receptor assessed as effect on [35S]GTPga... | 18433114 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18433114 | 10.1021/jm7014149 | Histamine H3 receptor | 3 |
Data from ChEMBL 36 via Core Engine