Compound Detail
CHEMBL1765359
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Basic Information
| ChEMBL ID | CHEMBL1765359 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGXIYZGZCBPIKG-KHPPLWFESA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
224.3
MW (Da)
3.65
ALogP
2
HBA
1
HBD
41.3
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Low molecular weight protein-tyrosine phosphatase A CHEMBL4542 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.03 | 5.03 | 9400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Low molecular weight protein-tyrosine phosphatase A | IC50 | = | 900.0 | nM | 6.05 | Inhibition of Mycobacterium tuberculosis ptpA | 21420867 |
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 3300.0 | nM | 5.48 | Inhibition of PTP1B | 21420867 |
| Unchecked | IC50 | = | 9400.0 | nM | 5.03 | Inhibition of Mycobacterium tuberculosis LMW-PTP | 21988196 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21420867 | 10.1016/j.bmc.2011.02.047 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 21420867 | 10.1016/j.bmc.2011.02.047 | Low molecular weight protein-tyrosine phosphatase A | 1 |
| 21988196 | 10.1021/jm200607g | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine