Compound Detail
CHEMBL5593594
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Basic Information
| ChEMBL ID | CHEMBL5593594 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMHITKMDUAQSCH-QGZVFWFLSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
468.0
MW (Da)
3.65
ALogP
8
HBA
3
HBD
120.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.17
Kd 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 11 CHEMBL3864 | Kd | 8.4 | 8.4 | 4.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 11 CHEMBL3864 | IC50 | 8.17 | 8.17 | 6.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 11 | Kd | = | 4.0 | nM | 8.4 | Binding affinity to SHP2 (unknown origin) by SPR analysis | 39110625 |
| Tyrosine-protein phosphatase non-receptor type 11 | IC50 | = | 6.7 | nM | 8.17 | Inhibition of LN(pY)IDLDLV(dPEG8)LST(pY)ASINFQKASINFQK-NH2-activated SHP2 (unkno... | 39110625 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39110625 | 10.1021/acs.jmedchem.4c00360 | Tyrosine-protein phosphatase non-receptor type 11 | 2 |
Data from ChEMBL 36 via Core Engine