Compound Detail
CHEMBL58239
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Basic Information
| ChEMBL ID | CHEMBL58239 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWSIXOXFPXIHAG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
411.9
MW (Da)
4.30
ALogP
3
HBA
3
HBD
82.7
PSA (Ų)
0.43
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL5076 | Ki | 7.64 | 7.64 | 23.0 | 1 |
| Histamine H1 receptor CHEMBL4701 | Ki | 6.04 | 6.04 | 920.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 23.0 | nM | 7.64 | Binding affinity against H3 receptor in guinea pig brain using [3H]N-alpha-methy... | 12781173 |
| Histamine H1 receptor | Ki | = | 920.0 | nM | 6.04 | Ability to displace [3H]pyrilamine from histamine H1 receptor in male Sprague-Da... | 12781173 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12781173 | 10.1016/s0960-894x(03)00357-3 | Histamine H1 receptor | 1 |
| 12781173 | 10.1016/s0960-894x(03)00357-3 | Histamine H3 receptor | 1 |
Data from ChEMBL 36 via Core Engine