Compound Detail
CHEMBL3134607
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Basic Information
| ChEMBL ID | CHEMBL3134607 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPLNMTFNEBUKKS-UHFFFAOYSA-N |
7
Targets
8
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
322.3
MW (Da)
3.80
ALogP
6
HBA
1
HBD
90.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 6.84 | 6.84 | 143.0 | 2 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 6.28 | 6.28 | 527.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145 | IC50 | 6.27 | 6.27 | 537.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 6.11 | 6.11 | 770.0 | 1 |
| HeLa CHEMBL399 | IC50 | 6.01 | 6.01 | 980.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 5.98 | 5.98 | 1040.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.56 | 5.56 | 2730.0 | 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 | = | 142.99 | nM | 6.84 | Inhibition of human PI3Kgamma | - |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | IC50 | = | 143.0 | nM | 6.84 | Inhibition of human PI3Kgamma | - |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 527.0 | nM | 6.28 | Inhibition of human PI3Kalpha | - |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | IC50 | = | 537.0 | nM | 6.27 | Inhibition of human PI3Kbeta | - |
| MCF7 | IC50 | = | 770.0 | nM | 6.11 | Anticancer activity against human MCF7 cells by MTT assay | - |
| HeLa | IC50 | = | 980.0 | nM | 6.01 | Anticancer activity against human HeLa cells by MTT assay | - |
| HepG2 | IC50 | = | 1040.0 | nM | 5.98 | Anticancer activity against human HepG2 cells by MTT assay | - |
| A549 | IC50 | = | 2730.0 | nM | 5.56 | Anticancer activity against human A549 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