Compound Detail
CHEMBL5220319
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Basic Information
| ChEMBL ID | CHEMBL5220319 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OGRNKWDDSUVBEY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
399.4
MW (Da)
3.44
ALogP
6
HBA
1
HBD
97.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Branched-chain-amino-acid aminotransferase, cytosolic CHEMBL4679 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Branched-chain-amino-acid aminotransferase, cytosolic | IC50 | = | 150.0 | nM | 6.82 | Inhibition of N-terminal his-tagged human recombinant BCAT1 expressed in Escheri... | 36261130 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36261130 | 10.1021/acs.jmedchem.2c00441 | Branched-chain-amino-acid aminotransferase, cytosolic | 1 |
Data from ChEMBL 36 via Core Engine