Compound Detail
CHEMBL573989
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 | CHEMBL573989 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZHNOCGHSINJTD-UHFFFAOYSA-N |
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
261.2
MW (Da)
0.85
ALogP
4
HBA
4
HBD
106.9
PSA (Ų)
0.47
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 2 CHEMBL3807 | Ki | 5.0 | 5.0 | 9900.0 | 1 |
| Receptor-type tyrosine-protein phosphatase beta CHEMBL2706 | Ki | 4.85 | 4.85 | 14000.0 | 1 |
| Receptor-type tyrosine-protein phosphatase C CHEMBL3243 | Ki | 4.43 | 4.43 | 37000.0 | 1 |
| Receptor-type tyrosine-protein phosphatase epsilon CHEMBL4850 | Ki | 4.35 | 4.35 | 45000.0 | 1 |
| Receptor-type tyrosine-protein phosphatase F CHEMBL3521 | Ki | 4.17 | 4.17 | 68000.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 6 CHEMBL3166 | Ki | 4.03 | 4.03 | 94000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 2 | Ki | = | 9900.0 | nM | 5.0 | Inhibition of PTPN2 | 19810703 |
| Receptor-type tyrosine-protein phosphatase beta | Ki | = | 14000.0 | nM | 4.85 | Inhibition of PTPRB | 19810703 |
| Receptor-type tyrosine-protein phosphatase C | Ki | = | 37000.0 | nM | 4.43 | Inhibition of PTPRC | 19810703 |
| Receptor-type tyrosine-protein phosphatase epsilon | Ki | = | 45000.0 | nM | 4.35 | Inhibition of PTPRE | 19810703 |
| Receptor-type tyrosine-protein phosphatase F | Ki | = | 68000.0 | nM | 4.17 | Inhibition of PTPRF | 19810703 |
| Tyrosine-protein phosphatase non-receptor type 6 | Ki | = | 94000.0 | nM | 4.03 | Inhibition of PTPN6 | 19810703 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19810703 | 10.1021/jm9008899 | Tyrosine-protein phosphatase non-receptor type 2 | 1 |
| 19810703 | 10.1021/jm9008899 | Receptor-type tyrosine-protein phosphatase beta | 1 |
| 19810703 | 10.1021/jm9008899 | Receptor-type tyrosine-protein phosphatase C | 1 |
| 19810703 | 10.1021/jm9008899 | Receptor-type tyrosine-protein phosphatase epsilon | 1 |
| 19810703 | 10.1021/jm9008899 | Receptor-type tyrosine-protein phosphatase F | 1 |
| 19810703 | 10.1021/jm9008899 | Tyrosine-protein phosphatase non-receptor type 6 | 1 |
| 19810703 | 10.1021/jm9008899 | Receptor-type tyrosine-protein phosphatase alpha | 1 |
Data from ChEMBL 36 via Core Engine