Compound Detail
CHEMBL3134616
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Basic Information
| ChEMBL ID | CHEMBL3134616 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UUGOOXODDDQVBS-UHFFFAOYSA-N |
7
Targets
8
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
360.6
MW (Da)
5.30
ALogP
3
HBA
1
HBD
37.8
PSA (Ų)
0.69
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 6.52 | 6.52 | 302.0 | 2 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 6.04 | 6.04 | 914.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145 | IC50 | 6.02 | 6.02 | 946.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.38 | 5.38 | 4180.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.21 | 5.21 | 6110.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.44 | 4.44 | 36680.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.32 | 4.32 | 47480.0 | 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 gamma isoform | IC50 | = | 302.0 | nM | 6.52 | Inhibition of human PI3Kgamma | - |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | IC50 | = | 302.0 | nM | 6.52 | Inhibition of human PI3Kgamma | - |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 914.0 | nM | 6.04 | Inhibition of human PI3Kalpha | - |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | IC50 | = | 946.0 | nM | 6.02 | Inhibition of human PI3Kbeta | - |
| MCF7 | IC50 | = | 4180.0 | nM | 5.38 | Anticancer activity against human MCF7 cells by MTT assay | - |
| A549 | IC50 | = | 6110.0 | nM | 5.21 | Anticancer activity against human A549 cells by MTT assay | - |
| HeLa | IC50 | = | 36680.0 | nM | 4.44 | Anticancer activity against human HeLa cells by MTT assay | - |
| HepG2 | IC50 | = | 47480.0 | nM | 4.32 | Anticancer activity against human HepG2 cells by MTT assay | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C3MD00301A | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2 |
| - | 10.1039/C3MD00301A | MCF7 | 1 |
| - | 10.1039/C3MD00301A | A549 | 1 |
| - | 10.1039/C3MD00301A | HeLa | 1 |
| - | 10.1039/C3MD00301A | HepG2 | 1 |
| - | 10.1039/C3MD00301A | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| - | 10.1039/C3MD00301A | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | 1 |
Data from ChEMBL 36 via Core Engine