Compound Detail
CHEMBL3600696
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Basic Information
| ChEMBL ID | CHEMBL3600696 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HLYCMIUSQBLQAY-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
2.30
ALogP
5
HBA
2
HBD
80.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 5.7 | 5.7 | 1995.3 | 1 |
| Phosphatidylinositol 4-kinase beta CHEMBL3268 | IC50 | 5.6 | 5.6 | 2511.9 | 1 |
| Phosphatidylinositol 4-kinase alpha CHEMBL3667 | IC50 | 5.5 | 5.5 | 3162.3 | 1 |
| Phosphatidylinositol 4-phosphate 5-kinase type-1 gamma CHEMBL1908383 | IC50 | 4.5 | 4.5 | 31622.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 1995.26 | nM | 5.7 | Inhibition of PI3Kalpha (unknown origin) pre-incubated for 20 mins before phosph... | 26087940 |
| Phosphatidylinositol 4-kinase beta | IC50 | = | 2511.89 | nM | 5.6 | Inhibition of N-terminal GST-tagged human full length recombinant PI4K3beta expr... | 26087940 |
| Phosphatidylinositol 4-kinase alpha | IC50 | = | 3162.28 | nM | 5.5 | Inhibition of N-terminal FLAG-tagged human full length recombinant PI4K3alpha us... | 26087940 |
| Phosphatidylinositol 4-phosphate 5-kinase type-1 gamma | IC50 | = | 31622.78 | nM | 4.5 | Inhibition of PIP5K1C (unknown origin) using D-myo-phosphatidylinositol 4-phosph... | 26087940 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26087940 | 10.1016/j.bmcl.2015.05.093 | Phosphatidylinositol 4-kinase beta | 1 |
| 26087940 | 10.1016/j.bmcl.2015.05.093 | Phosphatidylinositol 4-kinase alpha | 1 |
| 26087940 | 10.1016/j.bmcl.2015.05.093 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 26087940 | 10.1016/j.bmcl.2015.05.093 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | 1 |
| 26087940 | 10.1016/j.bmcl.2015.05.093 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
| 26087940 | 10.1016/j.bmcl.2015.05.093 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
| 26087940 | 10.1016/j.bmcl.2015.05.093 | Phosphatidylinositol 4-phosphate 5-kinase type-1 gamma | 1 |
Data from ChEMBL 36 via Core Engine