Compound Detail
CHEMBL1096287
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Basic Information
| ChEMBL ID | CHEMBL1096287 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQOCAPRPFHAHGS-KPKJPENVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
303.3
MW (Da)
4.64
ALogP
3
HBA
0
HBD
60.2
PSA (Ų)
0.31
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphotyrosine-protein phosphatase PTPB CHEMBL4540 | IC50 | 4.21 | 4.21 | 62000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphotyrosine-protein phosphatase PTPB | IC50 | = | 62000.0 | nM | 4.21 | Inhibition of Mycobacterium tuberculosis PTP-B using p-nitrophenyl phosphate as ... | 22136336 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22136336 | 10.1021/jm2012062 | Low molecular weight protein-tyrosine phosphatase A | 2 |
| 22136336 | 10.1021/jm2012062 | Phosphotyrosine-protein phosphatase PTPB | 2 |
| 20061067 | 10.1016/j.ejmech.2009.12.017 | Rattus norvegicus | 1 |
| 22136336 | 10.1021/jm2012062 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine