Compound Detail
CHEMBL5399468
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Basic Information
| ChEMBL ID | CHEMBL5399468 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NERZAMCFKOTSPJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
396.5
MW (Da)
4.21
ALogP
7
HBA
1
HBD
84.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma CHEMBL1770034 | IC50 | 7.9 | 7.9 | 12.6 | 1 |
| Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha CHEMBL1795194 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.1367 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma | IC50 | = | 12.59 | nM | 7.9 | Inhibition of GST-fused human recombinant chimeric PI5P4Kgamma+ harboring PI5P4K... | 37859710 |
| Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of GST-fused human recombinant PI5P4Kalpha expressed in Escherichia c... | 37859710 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37859710 | 10.1039/d3md00355h | ADMET | 3 |
| 37859710 | 10.1039/d3md00355h | Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha | 1 |
| 37859710 | 10.1039/d3md00355h | Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma | 1 |
| 37859710 | 10.1039/d3md00355h | Unchecked | 1 |
| 37859710 | 10.1039/d3md00355h | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine