Compound Detail
CHEMBL5620154
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N[C@@H]1c2ccccc2CC12CCN(c1cnc(Sc3cccc(NC(=O)c4cccnc4O)c3Cl)cn1)CC2
Basic Information
| ChEMBL ID | CHEMBL5620154 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGSKHVWFQHQHII-AREMUKBSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
559.1
MW (Da)
5.48
ALogP
8
HBA
3
HBD
117.3
PSA (Ų)
0.29
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 11 CHEMBL3864 | IC50 | 8.73 | 8.73 | 1.9 | 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 | = | 1.87 | nM | 8.73 | 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