Compound Detail
CHEMBL5192102
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Basic Information
| ChEMBL ID | CHEMBL5192102 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTWQHDKZSKDATE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
345.5
MW (Da)
2.54
ALogP
7
HBA
2
HBD
90.3
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 11 CHEMBL3864 | IC50 | 7.1 | 7.1 | 79.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 11 | IC50 | = | 79.0 | nM | 7.1 | Allosteric inhibition of wild-type human SHP2 (1 to 535 residues) using DiFMUP a... | 35063735 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35063735 | 10.1016/j.ejmech.2022.114106 | Tyrosine-protein phosphatase non-receptor type 11 | 4 |
Data from ChEMBL 36 via Core Engine