Compound Detail
CHEMBL5562456
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Basic Information
| ChEMBL ID | CHEMBL5562456 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QKSXFCNKUJJHHX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
315.3
MW (Da)
-0.60
ALogP
5
HBA
3
HBD
98.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 2 CHEMBL3807 | IC50 | 7.71 | 7.71 | 19.7 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 2 | IC50 | = | 19.7 | nM | 7.71 | Inhibition of human PTPN2 using DiFMUP as substrate by fluorescence based phosph... | 38604096 |
| Unchecked | IC50 | = | 350.0 | nM | 6.46 | Inhibition of PTPN2 in IFN-gamma induced mouse B16-F10 cells | 38604096 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38604096 | 10.1016/j.ejmech.2024.116390 | Tyrosine-protein phosphatase non-receptor type 2 | 1 |
| 38604096 | 10.1016/j.ejmech.2024.116390 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine