Compound Detail
CHEMBL1765346
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CN(CCCCCl)P(=O)(OCc1cc([N+](=O)[O-])co1)C(F)(F)c1ccc(CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccc(C(F)(F)P(=O)(OCc3ccc([N+](=O)[O-])o3)N(C)CCCCCl)cc2)C(N)=O)cc1
Basic Information
| ChEMBL ID | CHEMBL1765346 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YFIPJENASDLGOC-PQFSHAOUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1114.8
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 7.7 | 7.7 | 20.0 | 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 | = | 20.0 | nM | 7.7 | Inhibition of PTP1B | 21420867 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21420867 | 10.1016/j.bmc.2011.02.047 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine