Compound Detail
CHEMBL5179645
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5179645 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UCEGCTFECGIFEK-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
371.3
MW (Da)
4.82
ALogP
4
HBA
1
HBD
59.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphotyrosine protein phosphatase CHEMBL4295521 | IC50 | 4.51 | 4.51 | 31100.0 | 1 |
| Phosphotyrosine-protein phosphatase PTPB CHEMBL4540 | IC50 | 4.51 | 4.325 | 31100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphotyrosine-protein phosphatase PTPB | IC50 | = | 31100.0 | nM | 4.51 | Inhibition of Mycobacterium tuberculosis PTPB expressed in Escherichia coli BL21... | 35286928 |
| Phosphotyrosine protein phosphatase | IC50 | = | 31100.0 | nM | 4.51 | Inhibition of Mycobacterium tuberculosis ptpB | 37348296 |
| Phosphotyrosine-protein phosphatase PTPB | IC50 | = | 72200.0 | nM | 4.14 | 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 |
| 37348296 | 10.1016/j.ejmech.2023.115571 | Phosphotyrosine protein phosphatase | 1 |
Data from ChEMBL 36 via Core Engine