Compound Detail
CHEMBL2158022
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Basic Information
| ChEMBL ID | CHEMBL2158022 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SIMCJJOQTKVNOO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
392.5
MW (Da)
3.51
ALogP
6
HBA
1
HBD
79.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 22 CHEMBL2889 | IC50 | 4.51 | 4.51 | 30850.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 22 | IC50 | = | 30850.0 | nM | 4.51 | Inhibition of LYP expressed in Escherichia coli BL21 using pNPP substrate | 21341673 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21341673 | 10.1021/jm101202j | Tyrosine-protein phosphatase non-receptor type 22 | 3 |
| 21341673 | 10.1021/jm101202j | Unchecked | 1 |
| 21341673 | 10.1021/jm101202j | Tyrosine-protein phosphatase non-receptor type 7 | 1 |
Data from ChEMBL 36 via Core Engine