Compound Detail
CHEMBL5186703
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Basic Information
| ChEMBL ID | CHEMBL5186703 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WAWISSQZPGUGIC-SDNWHVSQSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
371.3
MW (Da)
4.45
ALogP
3
HBA
1
HBD
67.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphotyrosine-protein phosphatase PTPB CHEMBL4540 | IC50 | 4.33 | 4.3133 | 47000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphotyrosine-protein phosphatase PTPB | IC50 | = | 47000.0 | nM | 4.33 | Inhibition of Mycobacterium tuberculosis PTPB expressed in Escherichia coli BL21... | 35286928 |
| Phosphotyrosine-protein phosphatase PTPB | IC50 | = | 48100.0 | nM | 4.32 | Inhibition of Mycobacterium tuberculosis PTPB expressed in Escherichia coli BL21... | 35286928 |
| Phosphotyrosine-protein phosphatase PTPB | IC50 | = | 51600.0 | nM | 4.29 | Inhibition of Mycobacterium tuberculosis PTPB expressed in Escherichia coli BL21... | 35286928 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35286928 | 10.1016/j.ejmech.2022.114235 | Phosphotyrosine-protein phosphatase PTPB | 4 |
| 35286928 | 10.1016/j.ejmech.2022.114235 | MRC5 | 1 |
| 35286928 | 10.1016/j.ejmech.2022.114235 | WI-38 | 1 |
Data from ChEMBL 36 via Core Engine