Compound Detail
CHEMBL2283398
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Basic Information
| ChEMBL ID | CHEMBL2283398 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LUNDSXFMZFCTCH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
314.4
MW (Da)
1.61
ALogP
6
HBA
1
HBD
80.7
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H1 receptor CHEMBL3943 | IC50 | 10.22 | 10.22 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H1 receptor | IC50 | = | 0.0603 | nM | 10.22 | Inhibition of H1 receptor in Cavia porcellus (guinea pig) ileum assessed as inhi... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-012-0100-4 | Mus musculus | 1 |
| - | 10.1007/s00044-012-0100-4 | Histamine H1 receptor | 1 |
Data from ChEMBL 36 via Core Engine