Compound Detail
CHEMBL4567681
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Basic Information
| ChEMBL ID | CHEMBL4567681 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BEUIXJCNKIYAAU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
381.5
MW (Da)
3.75
ALogP
4
HBA
2
HBD
88.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha CHEMBL1795194 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
| Phosphatidylinositol 5-phosphate 4-kinase type-2 beta CHEMBL5667 | IC50 | 4.44 | 4.44 | 36000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha | IC50 | = | 5300.0 | nM | 5.28 | Inhibition of GST-tagged recombinant PI5P4Kalpha (unknown origin) incubated for ... | 32298120 |
| Phosphatidylinositol 5-phosphate 4-kinase type-2 beta | IC50 | = | 36000.0 | nM | 4.44 | Inhibition of GST-tagged recombinant PI5P4Kbeta (unknown origin) incubated for 1... | 32298120 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32298120 | 10.1021/acs.jmedchem.0c00227 | Phosphatidylinositol 5-phosphate 4-kinase type-2 beta | 1 |
| 32298120 | 10.1021/acs.jmedchem.0c00227 | Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha | 1 |
| 32298120 | 10.1021/acs.jmedchem.0c00227 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine