Compound Detail
CHEMBL57974
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Basic Information
| ChEMBL ID | CHEMBL57974 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LEHCDHHLEVYQNS-UHFFFAOYSA-N |
1
Targets
12
Activities
2
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
208.1
MW (Da)
1.91
ALogP
1
HBA
2
HBD
57.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas.
Ki 3 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | Ki | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 | Ki | = | 2500.0 | nM | 5.6 | Inhibitory activity against Yersinia Protein-tyrosine phosphatase 1B | 11459664 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12781191 | 10.1016/s0960-894x(03)00311-1 | Unchecked | 2 |
| 38768084 | 10.1021/acs.jmedchem.4c00149 | Dual specificity protein phosphatase 10 | 1 |
| 38768084 | 10.1021/acs.jmedchem.4c00149 | ADMET | 1 |
| 38768084 | 10.1021/acs.jmedchem.4c00149 | Tyrosine-protein phosphatase non-receptor type 5 | 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 1 | 1 |
| 38768084 | 10.1021/acs.jmedchem.4c00149 | Tyrosine-protein phosphatase non-receptor type 2 | 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 6 | 1 |
| 38768084 | 10.1021/acs.jmedchem.4c00149 | Tyrosine-protein phosphatase non-receptor type 11 | 1 |
| 12904075 | 10.1021/jm030106f | ADMET | 1 |
| 38768084 | 10.1021/acs.jmedchem.4c00149 | Laforin | 1 |
| 38768084 | 10.1021/acs.jmedchem.4c00149 | Receptor-type tyrosine-protein phosphatase C | 1 |
| 12781191 | 10.1016/s0960-894x(03)00311-1 | Mandelate racemase | 1 |
| 12781191 | 10.1016/s0960-894x(03)00311-1 | No relevant target | 1 |
| 11459664 | 10.1016/s0960-894x(01)00325-0 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 10098656 | 10.1016/s0960-894x(99)00027-x | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine