Compound Detail
CHEMBL399586
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Basic Information
| ChEMBL ID | CHEMBL399586 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WMOKBKUDIRNAKD-XYOKQWHBSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
297.3
MW (Da)
1.36
ALogP
4
HBA
3
HBD
100.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PTPsigma-(Brain) CHEMBL2146342 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Protein tyrosine phosphatase type IVA 3 CHEMBL4162 | IC50 | 4.55 | 4.55 | 28100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PTPsigma-(Brain) | IC50 | = | 200.0 | nM | 6.7 | Inhibition of His-tagged PTPsigma catalytic domain amino acid 1369 to 1948 using... | 22989533 |
| Protein tyrosine phosphatase type IVA 3 | IC50 | = | 28100.0 | nM | 4.55 | Inhibition of human PRL3 expressed in Escherichia coli BL21 (DE3) | 18358718 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22989533 | 10.1016/j.bmcl.2012.08.081 | PTPsigma-(Brain) | 2 |
| 18358718 | 10.1016/j.bmcl.2008.03.013 | Protein tyrosine phosphatase type IVA 3 | 1 |
| 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