Compound Detail
CHEMBL276376
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O=P(O)(O)C(F)(F)c1ccc(CC(Cc2ccc(C(F)(F)P(=O)(O)O)cc2)(OCc2ccccc2)OCc2ccccc2)cc1
Basic Information
| ChEMBL ID | CHEMBL276376 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQTWLHOUTPXSJE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
668.5
MW (Da)
7.06
ALogP
4
HBA
4
HBD
133.5
PSA (Ų)
0.06
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 6.8 | 6.345 | 160.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 160.0 | nM | 6.8 | In vitro inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) was... | 15013019 |
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 1300.0 | nM | 5.89 | In vitro inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) ove... | 15013019 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15013019 | 10.1016/j.bmcl.2003.11.048 | Tyrosine-protein phosphatase non-receptor type 1 | 2 |
| 15013019 | 10.1016/j.bmcl.2003.11.048 | Receptor-type tyrosine-protein phosphatase C | 1 |
Data from ChEMBL 36 via Core Engine