Compound Detail
CHEMBL4800137
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Basic Information
| ChEMBL ID | CHEMBL4800137 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PHTSSQVKMKXPJB-CQSZACIVSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
424.4
MW (Da)
4.61
ALogP
6
HBA
2
HBD
81.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 11 CHEMBL3864 | IC50 | 8.0 | 8.0 | 10.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 11 | IC50 | = | 10.0 | nM | 8.0 | Allosteric inhibition of [IRSl_pY1172(dPEG8)pY1222] peptide-activated SHP2 (unkn... | 32460492 |
| Tyrosine-protein phosphatase non-receptor type 11 | IC50 | = | 10.0 | nM | 8.0 | SHP2 Allosteric Inhibition Assay: SHP2 is allosterically activated through bindi... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32460492 | 10.1021/acs.jmedchem.0c00249 | Tyrosine-protein phosphatase non-receptor type 11 | 1 |
Data from ChEMBL 36 via Core Engine