Compound Detail
CHEMBL47539
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C=CCc1c(OCc2ccc3ccccc3n2)ccc2c1c(SC(C)(C)C)c(CC(C)(C)C(=O)O)n2Cc1ccc(Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL47539 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PFGWMUXRIIXOOD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
627.2
MW (Da)
9.74
ALogP
5
HBA
1
HBD
64.3
PSA (Ų)
0.12
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Arachidonate 5-lipoxygenase-activating protein CHEMBL4550 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Arachidonate 5-lipoxygenase-activating protein | IC50 | = | 27.0 | nM | 7.57 | Compound was tested for its binding activity towards 5-lipoxygenase activating p... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 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