Compound Detail
CHEMBL235804
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Basic Information
| ChEMBL ID | CHEMBL235804 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWODTHFLZJZNRS-UNOMPAQXSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
389.4
MW (Da)
4.77
ALogP
4
HBA
1
HBD
74.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 5.19 | 5.19 | 6500.0 | 1 |
| Low molecular weight phosphotyrosine protein phosphatase CHEMBL4903 | IC50 | 4.92 | 4.48 | 12000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 6500.0 | nM | 5.19 | Inhibition of human protein-tyrosine phosphatase 1B | 17543532 |
| Low molecular weight phosphotyrosine protein phosphatase | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of human low molecular weight Protein-tyrosine phosphatase IF1 | 17543532 |
| Low molecular weight phosphotyrosine protein phosphatase | IC50 | = | 92000.0 | nM | 4.04 | Inhibition of human low molecular weight Protein-tyrosine phosphatase IF2 | 17543532 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17543532 | 10.1016/j.bmc.2007.05.027 | Low molecular weight phosphotyrosine protein phosphatase | 3 |
| 17543532 | 10.1016/j.bmc.2007.05.027 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine