Compound Detail
CHEMBL333158
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Basic Information
| ChEMBL ID | CHEMBL333158 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CGVGVKRVKLCQOD-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
274.3
MW (Da)
2.78
ALogP
4
HBA
2
HBD
92.4
PSA (Ų)
0.87
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 3.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | Ki | 3.83 | 3.83 | 148000.0 | 2 |
| Receptor-type tyrosine-protein phosphatase alpha CHEMBL3918 | Ki | 3.2 | 3.2 | 634000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 | Ki | = | 148000.0 | nM | 3.83 | Binding affinity for Protein-tyrosine phosphatase 1B | 15214773 |
| Tyrosine-protein phosphatase non-receptor type 1 | Ki | = | 148000.0 | nM | 3.83 | Binding affinity against protein tyrosine phosphatase PTB1B | 13678400 |
| Receptor-type tyrosine-protein phosphatase alpha | Ki | = | 634000.0 | nM | 3.2 | Inhibitory constant of compound against T cell protein tyrosine phosphatase was ... | 13678400 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15214773 | 10.1021/jm040031v | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 13678400 | 10.1021/jm034122o | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 13678400 | 10.1021/jm034122o | Receptor-type tyrosine-protein phosphatase alpha | 1 |
| 19385614 | 10.1021/jm801444x | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine