Compound Detail
CHEMBL177989
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
Basic Information
| ChEMBL ID | CHEMBL177989 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJJMCGOCVNTURO-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
239.3
MW (Da)
2.57
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 6.11 | 6.11 | 776.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 780.0 | nM | 6.11 | In vitro inhibitory activity against 5-lipoxygenase in rat basophilic leukemia c... | 2308149 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 776.25 | nM | 6.11 | Logarithmic value of inhibitory concentration against 5-lipoxygenase in rat baso... | 2308149 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2308149 | 10.1021/jm00165a017 | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
Data from ChEMBL 36 via Core Engine