Compound Detail
CHEMBL4756767
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Basic Information
| ChEMBL ID | CHEMBL4756767 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NOFINDIEOAUEAE-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
384.4
MW (Da)
2.94
ALogP
7
HBA
2
HBD
94.0
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 11 CHEMBL3864 | IC50 | 7.18 | 6.9175 | 66.0 | 4 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.76 | 4.76 | 17400.0 | 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 | = | 66.0 | nM | 7.18 | SHP2 Allosteric Inhibition Assay: SHP2 is allosterically activated through bindi... | - |
| Tyrosine-protein phosphatase non-receptor type 11 | IC50 | = | 67.0 | nM | 7.17 | Allosteric inhibition of 6x-histidine tagged human SHP2 (Met1-L525 residues) exp... | 32910655 |
| Tyrosine-protein phosphatase non-receptor type 11 | IC50 | = | 142.0 | nM | 6.85 | Allosteric inhibition of IRS1 peptide-activated human recombinant SHP2 (Met1 to ... | 36793438 |
| Tyrosine-protein phosphatase non-receptor type 11 | IC50 | = | 339.0 | nM | 6.47 | Allosteric inhibition of human SHP2 in human KYSE-520 cells assessed as reductio... | 32910655 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 17400.0 | nM | 4.76 | Inhibition of human ERG by Q-patch assay | 32910655 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32910655 | 10.1021/acs.jmedchem.0c01170 | No relevant target | 3 |
| 32910655 | 10.1021/acs.jmedchem.0c01170 | Tyrosine-protein phosphatase non-receptor type 11 | 2 |
| 32910655 | 10.1021/acs.jmedchem.0c01170 | KYSE-520 cell line | 1 |
| 32910655 | 10.1021/acs.jmedchem.0c01170 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 36793438 | 10.1021/acsmedchemlett.2c00454 | Tyrosine-protein phosphatase non-receptor type 11 | 1 |
Data from ChEMBL 36 via Core Engine