Compound Detail
CHEMBL4211696
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Basic Information
| ChEMBL ID | CHEMBL4211696 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLPIMQVLIVDWEA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
445.9
MW (Da)
3.88
ALogP
5
HBA
2
HBD
88.9
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4-kinase beta CHEMBL3268 | IC50 | 8.4 | 8.075 | 4.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphatidylinositol 4-kinase beta | IC50 | = | 4.0 | nM | 8.4 | Inhibition of recombinant human full length GST-tagged PI4K3beta expressed in ba... | 29952567 |
| Phosphatidylinositol 4-kinase beta | IC50 | = | 18.0 | nM | 7.75 | Inhibition of PI4K3beta in human PBMC assessed as reduction in mitomycin-C treat... | 29952567 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29952567 | 10.1021/acs.jmedchem.8b00521 | Phosphatidylinositol 4-kinase beta | 2 |
Data from ChEMBL 36 via Core Engine