Compound Detail
CHEMBL113813
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Basic Information
| ChEMBL ID | CHEMBL113813 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GNYPVAHJFKKBSG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
367.5
MW (Da)
3.93
ALogP
4
HBA
0
HBD
38.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 5.78 | 5.78 | 1650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 1650.0 | nM | 5.78 | Inhibition of leukotriene B4 production in human whole blood | 12419366 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12419366 | 10.1016/s0960-894x(02)00760-6 | Leukotriene A-4 hydrolase | 1 |
| 12419366 | 10.1016/s0960-894x(02)00760-6 | Homo sapiens | 1 |
| 12419366 | 10.1016/s0960-894x(02)00760-6 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine