Compound Detail
CHEMBL84837
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Basic Information
| ChEMBL ID | CHEMBL84837 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZFRJFPQCEJIXOD-SNAWJCMRSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
199.2
MW (Da)
2.57
ALogP
3
HBA
0
HBD
43.1
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL4321 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL5211 | IC50 | 4.86 | 4.86 | 13800.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL2649 | IC50 | 4.63 | 4.63 | 23600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 12000.0 | nM | 4.92 | Inhibitory activity against cyclooxygenase-2 in micc | 15109651 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 13800.0 | nM | 4.86 | Inhibitory activity against murine lipoxygenase-2. | 15109651 |
| Prostaglandin G/H synthase 1 | IC50 | = | 23600.0 | nM | 4.63 | Inhibitory activity against murine prostaglandin G/H synthase 1. | 15109651 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15109651 | 10.1016/j.bmcl.2004.02.099 | Prostaglandin G/H synthase 1 | 1 |
| 15109651 | 10.1016/j.bmcl.2004.02.099 | Prostaglandin G/H synthase 2 | 1 |
| 15109651 | 10.1016/j.bmcl.2004.02.099 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
Data from ChEMBL 36 via Core Engine