Compound Detail
CHEMBL175241
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Basic Information
| ChEMBL ID | CHEMBL175241 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GZUNJUHSRLTITI-CSKARUKUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
300.3
MW (Da)
2.01
ALogP
4
HBA
3
HBD
111.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
| Tyrosine-protein phosphatase 1 CHEMBL4452 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 5200.0 | nM | 5.28 | Inhibition of human PTPase 1B | 15050628 |
| Tyrosine-protein phosphatase 1 | IC50 | = | 30000.0 | nM | 4.52 | Inhibitory activity against Saccharomyces cerevisiae Tyrosine phosphatase 1 | 15050628 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15050628 | 10.1016/j.bmcl.2004.01.079 | Unchecked | 1 |
| 15050628 | 10.1016/j.bmcl.2004.01.079 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 15050628 | 10.1016/j.bmcl.2004.01.079 | Tyrosine-protein phosphatase 1 | 1 |
Data from ChEMBL 36 via Core Engine