Compound Detail
CHEMBL297661
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc(-c4ccccc4)cn3)cc12
Basic Information
| ChEMBL ID | CHEMBL297661 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKEIFYFYOIQSIO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
539.1
MW (Da)
7.95
ALogP
4
HBA
1
HBD
64.3
PSA (Ų)
0.21
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Arachidonate 5-lipoxygenase-activating protein CHEMBL4550 | IC50 | 8.03 | 8.03 | 9.3 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Arachidonate 5-lipoxygenase-activating protein | IC50 | = | 9.3 | nM | 8.03 | Compound was tested for its binding activity towards 5-lipoxygenase activating p... | - |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 700.0 | nM | 6.16 | Compound was tested for its inhibitory activity against 5-lipoxygenase in rat. | - |
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