Compound Detail
CHEMBL4539028
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Basic Information
| ChEMBL ID | CHEMBL4539028 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJTKTTQNGJGQFY-MFOYZWKCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
262.7
MW (Da)
3.62
ALogP
2
HBA
0
HBD
39.0
PSA (Ų)
0.26
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lipoxygenase CHEMBL1641359 | IC50 | 4.49 | 4.49 | 32500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lipoxygenase | IC50 | = | 32500.0 | nM | 4.49 | Inhibition of soybean lipoxygenase using sodium linoleate as substrate by UV-bas... | 30715875 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30715875 | 10.1021/acs.jmedchem.8b01987 | No relevant target | 6 |
| 30715875 | 10.1021/acs.jmedchem.8b01987 | Lipoxygenase | 1 |
| 30715875 | 10.1021/acs.jmedchem.8b01987 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine