Compound Detail
CHEMBL4792498
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4792498 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YAPXLZOGUIFJFW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
418.0
MW (Da)
2.79
ALogP
8
HBA
3
HBD
120.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 11 CHEMBL3864 | IC50 | 8.08 | 8.08 | 8.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 11 | IC50 | = | 8.3 | nM | 8.08 | Allosteric inhibition of dPEG8 peptide-activated SHP2 (unknown origin) using DiF... | 32460492 |
| Tyrosine-protein phosphatase non-receptor type 11 | IC50 | = | 8.3 | nM | 8.08 | Phosphatase Assays: IC50 values were estimated using 6,8-difluoro-4-methylumbell... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32460492 | 10.1021/acs.jmedchem.0c00249 | Tyrosine-protein phosphatase non-receptor type 11 | 1 |
Data from ChEMBL 36 via Core Engine