Compound Detail
CHEMBL303125
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Basic Information
| ChEMBL ID | CHEMBL303125 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NHNHVPDCKSXJEL-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
281.4
MW (Da)
3.13
ALogP
5
HBA
1
HBD
69.6
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.29
Ki 1 meas. best 4.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4-kinase, PI4K CHEMBL2096619 | Ki | 4.45 | 4.45 | 35800.0 | 1 |
| Phosphatidylinositol 4-kinase, PI4K CHEMBL2096619 | IC50 | 4.29 | 4.29 | 51900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphatidylinositol 4-kinase, PI4K | Ki | = | 35800.0 | nM | 4.45 | Binding affinity (Ki) against human phosphatidylinositol 4-kinase | 2165159 |
| Phosphatidylinositol 4-kinase, PI4K | IC50 | = | 51900.0 | nM | 4.29 | Inhibitory activity (IC50) against human phosphatidylinositol 4-kinase at the AT... | 2165159 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2165159 | 10.1021/jm00170a005 | Phosphatidylinositol 4-kinase, PI4K | 2 |
Data from ChEMBL 36 via Core Engine