Compound Detail
CHEMBL279454
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Basic Information
| ChEMBL ID | CHEMBL279454 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WNNUGNUPCHFHOT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
337.5
MW (Da)
5.49
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.61
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H1 receptor CHEMBL3943 | IC50 | 6.33 | 6.33 | 470.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H1 receptor | IC50 | = | 470.0 | nM | 6.33 | In vitro antagonistic activity at the Histamine H1 receptor in guinea pig ileum | 10866399 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10866399 | 10.1016/s0960-894x(00)00199-2 | Mus musculus | 2 |
| 10866399 | 10.1016/s0960-894x(00)00199-2 | Histamine H1 receptor | 1 |
| 10866399 | 10.1016/s0960-894x(00)00199-2 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine