Compound Detail
CHEMBL290170
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CC(C)c1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)NC(=O)N(C)O)n2Cc1ccc(Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL290170 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLKPDXDVZIAJLR-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
516.1
MW (Da)
7.71
ALogP
4
HBA
2
HBD
57.5
PSA (Ų)
0.19
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-lipoxygenase/FLAP CHEMBL2111402 | IC50 | 6.82 | 6.355 | 150.0 | 2 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 5.12 | 5.12 | 7500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-lipoxygenase/FLAP | IC50 | = | 150.0 | nM | 6.82 | Inhibition of calcium ionophore (A23187) stimulated LTB4 formation in human neut... | - |
| 5-lipoxygenase/FLAP | IC50 | = | 1300.0 | nM | 5.89 | Human whole blood was stimulated with calcium ionophore (A23187) and LTB 4 measu... | - |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 7500.0 | nM | 5.12 | Compound was tested for inhibition of 5-lipoxygenase activity in a broken cell s... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(96)00271-5 | 5-lipoxygenase/FLAP | 2 |
| - | 10.1016/S0960-894X(96)00271-5 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| - | 10.1016/S0960-894X(96)00271-5 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine