Compound Detail
CHEMBL3248231
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Basic Information
| ChEMBL ID | CHEMBL3248231 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQJZHMCWDKOPQG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
165.2
MW (Da)
0.71
ALogP
2
HBA
2
HBD
66.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphotyrosine protein phosphatase CHEMBL4295521 | IC50 | 5.27 | 5.27 | 5400.0 | 1 |
| Triple specificity protein phosphatase PtpB CHEMBL6066201 | IC50 | 5.27 | 5.27 | 5400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphotyrosine protein phosphatase | IC50 | = | 5400.0 | nM | 5.27 | Inhibition of Mycobacterium tuberculosis PTPB expressed in Escherichia coli BL21... | 32787087 |
| Triple specificity protein phosphatase PtpB | IC50 | = | 5400.0 | nM | 5.27 | Inhibition Assay: Compounds were tested against mPTPB using the p-nitrophenyl ph... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 722758 | 10.1021/jm00207a017 | Rattus norvegicus | 2 |
| 27156192 | 10.1016/j.bmc.2016.04.037 | C-terminal-binding protein 2 | 1 |
| 32787087 | 10.1021/acs.jmedchem.0c00302 | Phosphotyrosine protein phosphatase | 1 |
| 32787087 | 10.1021/acs.jmedchem.0c00302 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 32787087 | 10.1021/acs.jmedchem.0c00302 | Tyrosine-protein phosphatase non-receptor type 11 | 1 |
Data from ChEMBL 36 via Core Engine