Compound Detail
CHEMBL2146956
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Basic Information
| ChEMBL ID | CHEMBL2146956 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQJKZLUDTONJRT-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
331.4
MW (Da)
2.86
ALogP
8
HBA
0
HBD
81.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PTPsigma-(Brain) CHEMBL2146342 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Dual specificity protein phosphatase 4 CHEMBL2146343 | IC50 | 5.64 | 5.64 | 2290.0 | 1 |
| Protein tyrosine phosphatase type IVA 1 CHEMBL1075169 | IC50 | 4.68 | 4.68 | 21000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PTPsigma-(Brain) | IC50 | = | 100.0 | nM | 7.0 | Inhibition of His-tagged PTPsigma catalytic domain amino acid 1369 to 1948 using... | 22989533 |
| Dual specificity protein phosphatase 4 | IC50 | = | 2290.0 | nM | 5.64 | Inhibition of MKP2 | 22989533 |
| Protein tyrosine phosphatase type IVA 1 | IC50 | = | 21000.0 | nM | 4.68 | Inhibition of PRL1 | 22989533 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22989533 | 10.1016/j.bmcl.2012.08.081 | PTPsigma-(Brain) | 2 |
| 22989533 | 10.1016/j.bmcl.2012.08.081 | Dual specificity protein phosphatase 4 | 1 |
| 22989533 | 10.1016/j.bmcl.2012.08.081 | Protein tyrosine phosphatase type IVA 1 | 1 |
| 22989533 | 10.1016/j.bmcl.2012.08.081 | Protein tyrosine phosphatase type IVA 3 | 1 |
Data from ChEMBL 36 via Core Engine