Compound Detail
CHEMBL263348
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CC(=O)NS(=O)(=O)c1ccc(CC(Cc2ccc(C(F)(F)P(=O)(O)O)cc2)(C(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1
Basic Information
| ChEMBL ID | CHEMBL263348 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SXFIPURNTUMNDL-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
715.7
MW (Da)
5.00
ALogP
8
HBA
3
HBD
173.4
PSA (Ų)
0.09
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 7.05 | 6.41 | 90.0 | 2 |
| Receptor-type tyrosine-protein phosphatase C CHEMBL3243 | IC50 | 4.6 | 4.6 | 25000.0 | 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 | = | 90.0 | nM | 7.05 | In vitro inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) was... | 15013019 |
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 1700.0 | nM | 5.77 | In vitro inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) ove... | 15013019 |
| Receptor-type tyrosine-protein phosphatase C | IC50 | = | 25000.0 | nM | 4.6 | In vitro inhibitory activity against CD45 protein-tyrosine phosphatase | 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