Compound Detail
CHEMBL4761760
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4761760 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LIUGYEURYFTFFQ-MRXNPFEDSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
454.0
MW (Da)
3.26
ALogP
8
HBA
3
HBD
120.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.26
Kd 1 meas. best 8.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 11 CHEMBL3864 | IC50 | 8.26 | 8.18 | 5.5 | 2 |
| Tyrosine-protein phosphatase non-receptor type 11 CHEMBL3864 | Kd | 8.06 | 8.06 | 8.8 | 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 | = | 5.5 | nM | 8.26 | Inhibition of LN(pY)IDLDLV(dPEG8)LST(pY)ASINFQKASINFQK-NH2-activated SHP2 (unkno... | 39110625 |
| Tyrosine-protein phosphatase non-receptor type 11 | IC50 | = | 8.0 | nM | 8.1 | Allosteric inhibition of dPEG8 peptide-activated SHP2 (unknown origin) using DiF... | 32460492 |
| Tyrosine-protein phosphatase non-receptor type 11 | Kd | = | 8.8 | nM | 8.06 | Binding affinity to SHP2 (unknown origin) by SPR analysis | 39110625 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39110625 | 10.1021/acs.jmedchem.4c00360 | Tyrosine-protein phosphatase non-receptor type 11 | 2 |
| 32460492 | 10.1021/acs.jmedchem.0c00249 | Tyrosine-protein phosphatase non-receptor type 11 | 1 |
Data from ChEMBL 36 via Core Engine