Compound Detail
CHEMBL2064513
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Basic Information
| ChEMBL ID | CHEMBL2064513 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DAJYUBLXABWOKO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
331.4
MW (Da)
1.95
ALogP
7
HBA
1
HBD
103.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 6.8 | 6.8 | 158.5 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 5.5 | 5.5 | 3162.3 | 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 | = | 158.49 | nM | 6.8 | Inhibition of PI3Kgamma by high throughput chemoproteomics binding assay | 22819766 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | IC50 | = | 3162.28 | nM | 5.5 | Inhibition of PI3Kdelta by high throughput chemoproteomics binding assay | 22819766 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22819766 | 10.1016/j.bmcl.2012.06.049 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2 |
| 22819766 | 10.1016/j.bmcl.2012.06.049 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
| 22819766 | 10.1016/j.bmcl.2012.06.049 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
Data from ChEMBL 36 via Core Engine