Compound Detail
CHEMBL5559251
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Basic Information
| ChEMBL ID | CHEMBL5559251 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXCNTLSWFXHEAP-UHFFFAOYSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
293.6
MW (Da)
3.12
ALogP
2
HBA
2
HBD
70.4
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 4.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 6 CHEMBL3166 | IC50 | 4.44 | 4.44 | 36600.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 11 CHEMBL3864 | IC50 | 4.12 | 4.12 | 75600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 6 | IC50 | = | 36600.0 | nM | 4.44 | Inhibition of SHP-1 (245 to 543 residues)(unknown origin) expressed in Escherich... | 38768084 |
| Tyrosine-protein phosphatase non-receptor type 11 | IC50 | = | 75600.0 | nM | 4.12 | Inhibition of SHP-2 (224 to 528 residues)(unknown origin) expressed in Escherich... | 38768084 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38768084 | 10.1021/acs.jmedchem.4c00149 | Receptor-type tyrosine-protein phosphatase C | 1 |
| 38768084 | 10.1021/acs.jmedchem.4c00149 | Laforin | 1 |
| 38768084 | 10.1021/acs.jmedchem.4c00149 | Dual specificity protein phosphatase 10 | 1 |
| 38768084 | 10.1021/acs.jmedchem.4c00149 | Tyrosine-protein phosphatase non-receptor type 11 | 1 |
| 38768084 | 10.1021/acs.jmedchem.4c00149 | Tyrosine-protein phosphatase non-receptor type 6 | 1 |
| 38768084 | 10.1021/acs.jmedchem.4c00149 | Dual specificity protein phosphatase CDC14A | 1 |
| 38768084 | 10.1021/acs.jmedchem.4c00149 | Tyrosine-protein phosphatase non-receptor type 2 | 1 |
| 38768084 | 10.1021/acs.jmedchem.4c00149 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 38768084 | 10.1021/acs.jmedchem.4c00149 | Tyrosine-protein phosphatase non-receptor type 22 | 1 |
| 38768084 | 10.1021/acs.jmedchem.4c00149 | Tyrosine-protein phosphatase non-receptor type 5 | 1 |
| 38768084 | 10.1021/acs.jmedchem.4c00149 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine