Compound Detail
CHEMBL56161
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Basic Information
| ChEMBL ID | CHEMBL56161 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AUVPDYMSBDSCCS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
375.5
MW (Da)
5.04
ALogP
3
HBA
1
HBD
51.5
PSA (Ų)
0.68
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclooxygenase CHEMBL2096674 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Arachidonate 5-lipoxygenase CHEMBL2980 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclooxygenase | IC50 | = | 100.0 | nM | 7.0 | Inhibition of Prostaglandin G/H synthase in bovine thrombocyte intact cell assay... | 8021931 |
| Arachidonate 5-lipoxygenase | IC50 | = | 240.0 | nM | 6.62 | Inhibition of 5-lipoxygenase in bovine PMNL cell assay. | 8021931 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8021931 | 10.1021/jm00038a021 | Cyclooxygenase | 1 |
| 8021931 | 10.1021/jm00038a021 | Arachidonate 5-lipoxygenase | 1 |
Data from ChEMBL 36 via Core Engine