Compound Detail
CHEMBL4454033
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Basic Information
| ChEMBL ID | CHEMBL4454033 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CGMYGQBFJRPLIT-QPEQYQDCSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
389.5
MW (Da)
1.84
ALogP
7
HBA
4
HBD
138.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.18
Kd 1 meas. best 10.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma CHEMBL1770034 | Kd | 10.64 | 10.64 | 0.0 | 1 |
| Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha CHEMBL1795194 | IC50 | 6.18 | 6.18 | 660.0 | 1 |
| Phosphatidylinositol 5-phosphate 4-kinase type-2 beta CHEMBL5667 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma | Kd | = | 0.023 | nM | 10.64 | Binding affinity to human PI5P4IKgamma | 32298120 |
| Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha | IC50 | = | 660.0 | nM | 6.18 | Inhibition of GST-tagged recombinant PI5P4Kalpha (unknown origin) incubated for ... | 32298120 |
| Phosphatidylinositol 5-phosphate 4-kinase type-2 beta | IC50 | = | 2700.0 | nM | 5.57 | 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 alpha | 2 |
| 32298120 | 10.1021/acs.jmedchem.0c00227 | No relevant target | 2 |
| 32298120 | 10.1021/acs.jmedchem.0c00227 | Phosphatidylinositol 5-phosphate 4-kinase type-2 beta | 1 |
| 32298120 | 10.1021/acs.jmedchem.0c00227 | ADMET | 1 |
| 32298120 | 10.1021/acs.jmedchem.0c00227 | Phosphatidylinositol 4-phosphate 5-kinase type-1 gamma | 1 |
| 32298120 | 10.1021/acs.jmedchem.0c00227 | Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma | 1 |
Data from ChEMBL 36 via Core Engine