Compound Detail
CHEMBL3134615
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3134615 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MOWJBNHQTXCUGI-UHFFFAOYSA-N |
6
Targets
8
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
368.3
MW (Da)
5.77
ALogP
3
HBA
1
HBD
37.8
PSA (Ų)
0.63
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 6.5 | 6.5 | 313.0 | 2 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 6.1 | 6.1 | 792.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145 | IC50 | 6.06 | 6.06 | 874.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.43 | 5.43 | 3710.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 5.15 | 5.15 | 7030.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.94 | 4.94 | 11530.0 | 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 | = | 312.97 | nM | 6.5 | Inhibition of human PI3Kgamma | - |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | IC50 | = | 313.0 | nM | 6.5 | Inhibition of human PI3Kgamma | - |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 792.0 | nM | 6.1 | Inhibition of human PI3Kalpha | - |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | IC50 | = | 874.0 | nM | 6.06 | Inhibition of human PI3Kbeta | - |
| A549 | IC50 | = | 3710.0 | nM | 5.43 | Anticancer activity against human A549 cells by MTT assay | - |
| HepG2 | IC50 | = | 7030.0 | nM | 5.15 | Anticancer activity against human HepG2 cells by MTT assay | - |
| HeLa | IC50 | = | 11530.0 | nM | 4.94 | Anticancer activity against human HeLa 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