Compound Detail
CHEMBL119433
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Basic Information
| ChEMBL ID | CHEMBL119433 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNYCLIXXFVNJEY-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
301.4
MW (Da)
3.89
ALogP
2
HBA
0
HBD
29.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 1000.0 | nM | 6.0 | Inhibitory activity against prostaglandin G/H synthase 2 (COX-2) | 9719605 |
| Prostaglandin G/H synthase 1 | IC50 | = | 5000.0 | nM | 5.3 | Inhibitory activity against prostaglandin G/H synthase 1 (COX-1) | 9719605 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of 5-Lipoxygenase (5-LOX) | 9719605 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9719605 | 10.1021/jm9802416 | Rattus norvegicus | 2 |
| 9719605 | 10.1021/jm9802416 | Prostaglandin G/H synthase 1 | 1 |
| 9719605 | 10.1021/jm9802416 | Prostaglandin G/H synthase 2 | 1 |
| 9719605 | 10.1021/jm9802416 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
Data from ChEMBL 36 via Core Engine