Compound Detail
CHEMBL2146958
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Basic Information
| ChEMBL ID | CHEMBL2146958 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PZIZLKJGPGUSCJ-ZSOIEALJSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
310.3
MW (Da)
1.87
ALogP
6
HBA
2
HBD
74.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PTPsigma-(Brain) CHEMBL2146342 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| GroEL/GroES CHEMBL4106139 | IC50 | 5.89 | 5.45 | 1300.0 | 2 |
| Protein tyrosine phosphatase type IVA 3 CHEMBL4162 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
| Protein tyrosine phosphatase type IVA 1 CHEMBL1075169 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PTPsigma-(Brain) | IC50 | = | 900.0 | nM | 6.05 | Inhibition of His-tagged PTPsigma catalytic domain amino acid 1369 to 1948 using... | 22989533 |
| GroEL/GroES | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of Escherichia coli GroEL/GroES expressed in Escherichia coli DH5alph... | 24418775 |
| GroEL/GroES | IC50 | = | 9800.0 | nM | 5.01 | Inhibition of Escherichia coli GroEL/GroES-ATPase activity expressed in Escheric... | 24418775 |
| Protein tyrosine phosphatase type IVA 3 | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of PRL3 | 22989533 |
| Protein tyrosine phosphatase type IVA 1 | IC50 | = | 14000.0 | nM | 4.85 | Inhibition of PRL1 | 22989533 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22989533 | 10.1016/j.bmcl.2012.08.081 | PTPsigma-(Brain) | 2 |
| 24418775 | 10.1016/j.bmcl.2013.12.100 | GroEL/GroES | 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 |
| 24418775 | 10.1016/j.bmcl.2013.12.100 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine