Compound Detail
CHEMBL4530344
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O=P(O)(Cc1cc2c(O)c(c1)Cc1cc(CP(=O)(O)c3ccccc3)cc(c1O)Cc1cc(CP(=O)(O)c3ccccc3)cc(c1O)Cc1cc(CP(=O)(O)c3ccccc3)cc(c1O)C2)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL4530344 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKZLCLJKGFLTTR-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1040.9
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 9 CHEMBL6117 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 11 CHEMBL3864 | IC50 | 5.34 | 5.34 | 4600.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 2 CHEMBL3807 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 4 CHEMBL3165 | 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 9 | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of recombinant human N-terminal GST-tagged MEG2 catalytic domain (285... | 30704811 |
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 2800.0 | nM | 5.55 | Inhibition of recombinant human PTP1B expressed in Escherichia coli using p-nitr... | 30704811 |
| Tyrosine-protein phosphatase non-receptor type 11 | IC50 | = | 4600.0 | nM | 5.34 | Inhibition of recombinant human SHP2 expressed in Escherichia coli using p-nitro... | 30704811 |
| Tyrosine-protein phosphatase non-receptor type 2 | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of recombinant human N-terminal GST-tagged TCPTP catalytic domain (2 ... | 30704811 |
| Tyrosine-protein phosphatase non-receptor type 4 | IC50 | = | 30000.0 | nM | 4.52 | Inhibition of recombinant human N-terminal GST-tagged MEG1 catalytic domain (637... | 30704811 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30704811 | 10.1016/j.bmcl.2019.01.026 | Tyrosine-protein phosphatase non-receptor type 4 | 1 |
| 30704811 | 10.1016/j.bmcl.2019.01.026 | Tyrosine-protein phosphatase non-receptor type 9 | 1 |
| 30704811 | 10.1016/j.bmcl.2019.01.026 | Tyrosine-protein phosphatase non-receptor type 2 | 1 |
| 30704811 | 10.1016/j.bmcl.2019.01.026 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 30704811 | 10.1016/j.bmcl.2019.01.026 | Tyrosine-protein phosphatase non-receptor type 11 | 1 |
Data from ChEMBL 36 via Core Engine