Compound Detail
CHEMBL5619863
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C[C@@H]1OCC2(CCN(c3cnc(Sc4cccc(NC(=O)c5ncccc5O)c4Cl)cn3)CC2)[C@@H]1N
Basic Information
| ChEMBL ID | CHEMBL5619863 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RDTLNFYPQPAIAV-NPMXOYFQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
527.0
MW (Da)
3.97
ALogP
9
HBA
3
HBD
126.5
PSA (Ų)
0.45
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 11 CHEMBL3864 | IC50 | 9.23 | 9.23 | 0.6 | 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 | = | 0.59 | nM | 9.23 | Allosteric inhibition of N-terminal His-tagged human recombinant SHP2 extracted ... | 39303516 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39303516 | 10.1016/j.ejmech.2024.116830 | Tyrosine-protein phosphatase non-receptor type 11 | 1 |
Data from ChEMBL 36 via Core Engine