Compound Detail
CHEMBL4126039
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 | CHEMBL4126039 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YZTWBJFWCBHALN-ZHACJKMWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
411.4
MW (Da)
3.88
ALogP
8
HBA
2
HBD
106.1
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lipoxygenase CHEMBL1641359 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lipoxygenase | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of soybean lipoxygenase | 30017112 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30017112 | 10.1016/j.bmc.2018.05.042 | Lipoxygenase | 1 |
Data from ChEMBL 36 via Core Engine