Compound Detail
CHEMBL3910692
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Basic Information
| ChEMBL ID | CHEMBL3910692 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBITZDMARMUFQZ-GOSISDBHSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
451.5
MW (Da)
4.70
ALogP
7
HBA
0
HBD
83.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 6.59 | 6.59 | 256.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 6.19 | 6.19 | 642.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 6.16 | 6.16 | 693.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145 | IC50 | 5.41 | 5.41 | 3880.0 | 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 delta isoform | IC50 | = | 256.0 | nM | 6.59 | Inhibition of PI3K-delta (unknown origin) by KinaseGlo assay | 27816514 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | IC50 | = | 642.0 | nM | 6.19 | Inhibition of PI3K-gamma (unknown origin) by KinaseGlo assay | 27816514 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 693.0 | nM | 6.16 | Inhibition of PI3K-alpha (unknown origin) by KinaseGlo assay | 27816514 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | IC50 | = | 3880.0 | nM | 5.41 | Inhibition of PI3K-beta (unknown origin) by KinaseGlo assay | 27816514 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27816514 | 10.1016/j.bmcl.2016.10.069 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 4 |
| 27816514 | 10.1016/j.bmcl.2016.10.069 | No relevant target | 2 |
| 27816514 | 10.1016/j.bmcl.2016.10.069 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 2 |
| 27816514 | 10.1016/j.bmcl.2016.10.069 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | 2 |
| 27816514 | 10.1016/j.bmcl.2016.10.069 | Unchecked | 2 |
| 27816514 | 10.1016/j.bmcl.2016.10.069 | ADMET | 1 |
| 27816514 | 10.1016/j.bmcl.2016.10.069 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
Data from ChEMBL 36 via Core Engine