Compound Detail
CHEMBL129761
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Basic Information
| ChEMBL ID | CHEMBL129761 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KRMOKGAZOYGDLF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
307.4
MW (Da)
4.28
ALogP
4
HBA
0
HBD
30.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL2949 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 3000.0 | nM | 5.52 | Inhibitory concentration against 5-lipoxygenase in rat RBL-1 cells | 8831759 |
| Prostaglandin G/H synthase 1 | IC50 | = | 100000.0 | nM | 4.0 | Inhibitory concentration against Prostaglandin H2 synthase 1 (PGHS-1) from ram s... | 8831759 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8831759 | 10.1021/jm960415o | Prostaglandin G/H synthase 1 | 1 |
| 8831759 | 10.1021/jm960415o | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| - | 10.6019/CHEMBL3988181 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine