Compound Detail
CHEMBL5182428
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Basic Information
| ChEMBL ID | CHEMBL5182428 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IAHWCROWFXOMDG-MSXFZWOLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
448.5
MW (Da)
5.69
ALogP
6
HBA
4
HBD
107.2
PSA (Ų)
0.33
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aspartate aminotransferase, cytoplasmic CHEMBL2189139 | IC50 | 5.54 | 5.54 | 2920.0 | 1 |
| J774.1 CHEMBL4296442 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aspartate aminotransferase, cytoplasmic | IC50 | = | 2920.0 | nM | 5.54 | Inhibition of human recombinant GOT1 using aspartic acid and alpha-ketoglutaric ... | 35820623 |
| J774.1 | IC50 | = | 3000.0 | nM | 5.52 | Anti-inflammatory activity against mouse J774A.1 macrophage assessed as reductio... | 35293744 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35293744 | 10.1021/acs.jnatprod.1c01003 | J774.1 | 2 |
| 35820623 | 10.1016/j.bmcl.2022.128883 | Aspartate aminotransferase, cytoplasmic | 1 |
| 35293744 | 10.1021/acs.jnatprod.1c01003 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine