Compound Detail
CHEMBL38172
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Basic Information
| ChEMBL ID | CHEMBL38172 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NFFALUZFTIOAOV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
254.3
MW (Da)
2.90
ALogP
4
HBA
2
HBD
49.7
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
| Cavia porcellus CHEMBL369 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 90.0 | nM | 7.05 | Evaluated for inhibition of the formation and release of 5-lipoxygenase in isola... | 2329571 |
| Cavia porcellus | IC50 | = | 1500.0 | nM | 5.82 | Evaluated for inhibition of the formation and release of SRS-A in isolated guine... | 2329571 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2329571 | 10.1021/jm00167a032 | Rattus norvegicus | 2 |
| 2329571 | 10.1021/jm00167a032 | Cavia porcellus | 1 |
| 2329571 | 10.1021/jm00167a032 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
Data from ChEMBL 36 via Core Engine