Compound Detail
CHEMBL4754666
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Basic Information
| ChEMBL ID | CHEMBL4754666 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HHXMEXZVPJFAIJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
244.2
MW (Da)
2.06
ALogP
5
HBA
3
HBD
90.9
PSA (Ų)
0.32
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pyruvate kinase PKLR CHEMBL1075126 | IC50 | 6.39 | 6.39 | 410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pyruvate kinase PKLR | IC50 | = | 410.0 | nM | 6.39 | Inhibition of full length N-terminal His-tagged human PKL (2 to 543 residues) ex... | 38471358 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33270444 | 10.1021/acs.jnatprod.0c00776 | Escherichia coli | 2 |
| 33270444 | 10.1021/acs.jnatprod.0c00776 | Unchecked | 1 |
| 38471358 | 10.1016/j.ejmech.2024.116306 | Pyruvate kinase PKLR | 1 |
Data from ChEMBL 36 via Core Engine