Compound Detail
CHEMBL502257
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Basic Information
| ChEMBL ID | CHEMBL502257 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UNCWHIJFMMDYME-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
362.3
MW (Da)
1.61
ALogP
7
HBA
3
HBD
151.0
PSA (Ų)
0.42
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 11 CHEMBL3864 | IC50 | 6.1 | 4.878 | 800.0 | 5 |
| Tyrosine-protein phosphatase non-receptor type 6 CHEMBL3166 | IC50 | 4.17 | 4.17 | 68000.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 4.01 | 4.01 | 96700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 11 | IC50 | = | 800.0 | nM | 6.1 | Inhibition of SHP2 (unknown origin) | 32738411 |
| Tyrosine-protein phosphatase non-receptor type 11 | IC50 | = | 4990.0 | nM | 5.3 | Inhibition of human GST-tagged Shp2 (205 to 593 residues) expressed Escherichia ... | 27391135 |
| Tyrosine-protein phosphatase non-receptor type 11 | IC50 | = | 46800.0 | nM | 4.33 | Inhibition of human recombinant SHP2 | 18680359 |
| Tyrosine-protein phosphatase non-receptor type 11 | IC50 | = | 47260.0 | nM | 4.33 | Inhibition Assay: NSC-87877 ranked among top 10% (175th) of the compounds with t... | - |
| Tyrosine-protein phosphatase non-receptor type 11 | IC50 | = | 47000.0 | nM | 4.33 | Inhibition of SHP2 (unknown origin) | 35157464 |
| Tyrosine-protein phosphatase non-receptor type 6 | IC50 | = | 68000.0 | nM | 4.17 | Inhibition of human recombinant SHP1 | 18680359 |
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 96700.0 | nM | 4.01 | Inhibition of human recombinant PTP1B | 18680359 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18680359 | 10.1021/jm8002526 | Tyrosine-protein phosphatase non-receptor type 11 | 1 |
| 18680359 | 10.1021/jm8002526 | Tyrosine-protein phosphatase non-receptor type 6 | 1 |
| 18680359 | 10.1021/jm8002526 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 20349977 | 10.1021/jm901718z | Autotaxin | 1 |
| 27391135 | 10.1016/j.ejmech.2016.06.034 | Tyrosine-protein phosphatase non-receptor type 11 | 1 |
| 35157464 | 10.1021/acs.jmedchem.1c02008 | Tyrosine-protein phosphatase non-receptor type 11 | 1 |
| 32738411 | 10.1016/j.ejmech.2020.112657 | Tyrosine-protein phosphatase non-receptor type 11 | 1 |
Data from ChEMBL 36 via Core Engine