Compound Detail
CHEMBL5271804
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CN1C(=O)[C@@H](CC2CCCC2)N(C2CCCC2)c2nc(Nc3cc(Cl)c(O)c(Cl)c3)ncc21
Basic Information
| ChEMBL ID | CHEMBL5271804 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AEZJZTFWCDAUDF-LJQANCHMSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
490.4
MW (Da)
5.91
ALogP
6
HBA
2
HBD
81.6
PSA (Ų)
0.51
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 5-phosphate 4-kinase type-2 beta CHEMBL5667 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha CHEMBL1795194 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphatidylinositol 5-phosphate 4-kinase type-2 beta | IC50 | = | 30.0 | nM | 7.52 | Inhibition of PI5P4Kbeta (unknown origin) incubated for 1 hr in presence of [33P... | 37252102 |
| Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha | IC50 | = | 40.0 | nM | 7.4 | Inhibition of PI5P4Kalpha (unknown origin) incubated for 1 hr in presence of [33... | 37252102 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37252102 | 10.1039/d3md00039g | Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha | 1 |
| 37252102 | 10.1039/d3md00039g | Phosphatidylinositol 5-phosphate 4-kinase type-2 beta | 1 |
Data from ChEMBL 36 via Core Engine