Compound Detail
CHEMBL2316894
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Basic Information
| ChEMBL ID | CHEMBL2316894 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IEBNAETVMASINC-UHFFFAOYSA-N |
10
Targets
10
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
426.4
MW (Da)
6.31
ALogP
3
HBA
2
HBD
70.7
PSA (Ų)
0.39
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 10 meas. best 5.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.99 | 5.99 | 1030.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 22 CHEMBL2889 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 11 CHEMBL3864 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
| Low molecular weight protein-tyrosine phosphatase A CHEMBL4542 | IC50 | 5.29 | 5.29 | 5100.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 6 CHEMBL3166 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
| Dual specificity protein phosphatase 3 CHEMBL2635 | IC50 | 5.21 | 5.21 | 6200.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 5.13 | 5.13 | 7400.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 9 CHEMBL6117 | IC50 | 5.07 | 5.07 | 8600.0 | 1 |
| Receptor-type tyrosine-protein phosphatase C CHEMBL3243 | IC50 | 5.0 | 5.0 | 10100.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 2 CHEMBL3807 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23305444 | 10.1021/jm301781p | Dual specificity protein phosphatase 3 | 1 |
| 23305444 | 10.1021/jm301781p | Receptor-type tyrosine-protein phosphatase C | 1 |
| 23305444 | 10.1021/jm301781p | Tyrosine-protein phosphatase non-receptor type 9 | 1 |
| 23305444 | 10.1021/jm301781p | Tyrosine-protein phosphatase non-receptor type 22 | 1 |
| 23305444 | 10.1021/jm301781p | Tyrosine-protein phosphatase non-receptor type 11 | 1 |
| 23305444 | 10.1021/jm301781p | Tyrosine-protein phosphatase non-receptor type 6 | 1 |
| 23305444 | 10.1021/jm301781p | Tyrosine-protein phosphatase non-receptor type 2 | 1 |
| 23305444 | 10.1021/jm301781p | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 23305444 | 10.1021/jm301781p | Unchecked | 1 |
| 23305444 | 10.1021/jm301781p | Low molecular weight protein-tyrosine phosphatase A | 1 |
Data from ChEMBL 36 via Core Engine