Compound Detail
CHEMBL57978
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Basic Information
| ChEMBL ID | CHEMBL57978 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RTLDJXGEOSVJEX-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
142.1
MW (Da)
0.40
ALogP
3
HBA
2
HBD
70.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
| Estrogen receptor beta CHEMBL242 | IC50 | 5.49 | 5.49 | 3234.7 | 1 |
| Dual specificity protein phosphatase 6 CHEMBL5511 | IC50 | 5.43 | 5.43 | 3730.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 4.57 | 4.57 | 27000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 7 | IC50 | = | 2300.0 | nM | 5.64 | PUBCHEM_BIOASSAY: HTS Discovery of Chemical Inhibitors of HePTP, a Leukemia Targ... | - |
| Estrogen receptor beta | IC50 | = | 3234.72 | nM | 5.49 | PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors ELISA Se... | - |
| Dual specificity protein phosphatase 6 | IC50 | = | 3730.0 | nM | 5.43 | PUBCHEM_BIOASSAY: MKP-3 in vitro HTS assay. (Class of assay: confirmatory) [Rela... | - |
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 27000.0 | nM | 4.57 | Inhibitory activity against Yersinia Protein-tyrosine phosphatase 1B | 11459664 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11459664 | 10.1016/s0960-894x(01)00325-0 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine