Compound Detail
CHEMBL4244961
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Basic Information
| ChEMBL ID | CHEMBL4244961 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NNCRGYAVDZIXTN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
388.4
MW (Da)
4.54
ALogP
2
HBA
2
HBD
51.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aspartate aminotransferase, cytoplasmic CHEMBL2189139 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aspartate aminotransferase, cytoplasmic | IC50 | = | 14000.0 | nM | 4.85 | Inhibition of GOT1 (unknown origin) using aspartate and alpha-ketoglutarate as s... | 29731362 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29731362 | 10.1016/j.bmcl.2018.04.061 | Aspartate aminotransferase, cytoplasmic | 1 |
Data from ChEMBL 36 via Core Engine