Compound Detail
CHEMBL31540
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Cc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12
Basic Information
| ChEMBL ID | CHEMBL31540 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IAPHVWDHXFWFFG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
513.0
MW (Da)
7.43
ALogP
4
HBA
1
HBD
64.3
PSA (Ų)
0.23
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Arachidonate 5-lipoxygenase-activating protein CHEMBL4550 | IC50 | 8.55 | 8.55 | 2.8 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Arachidonate 5-lipoxygenase-activating protein | IC50 | = | 2.8 | nM | 8.55 | Compound was tested for its binding activity towards 5-lipoxygenase activating p... | - |
| Homo sapiens | IC50 | = | 3.0 | nM | 8.52 | Leukotriene synthesis inhibition activity in the Human PMN assay | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80520-X | Homo sapiens | 1 |
| - | 10.1016/S0960-894X(00)80459-X | Arachidonate 5-lipoxygenase-activating protein | 1 |
| - | 10.1016/S0960-894X(00)80459-X | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
Data from ChEMBL 36 via Core Engine