Compound Detail
CHEMBL470129
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Basic Information
| ChEMBL ID | CHEMBL470129 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDDALGSXMJYSIM-MDWZMJQESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
258.4
MW (Da)
4.09
ALogP
2
HBA
0
HBD
34.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 4.19 | 4.19 | 64300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 200.0 | nM | 6.7 | Inhibition of 5-lipoxygenase | 9544564 |
| Prostaglandin G/H synthase 1 | IC50 | = | 64300.0 | nM | 4.19 | Inhibition of COX1 | 9544564 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9544564 | 10.1021/np970430b | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 9544564 | 10.1021/np970430b | Prostaglandin G/H synthase 1 | 1 |
Data from ChEMBL 36 via Core Engine