Compound Detail
CHEMBL3608931
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Basic Information
| ChEMBL ID | CHEMBL3608931 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JOOCEMIYLLRCTN-KOLCDFICSA-N |
5
Targets
6
Activities
1
Assay Types
1
PK Parameters
9
Publications
0
Known Names
Molecular Properties
409.5
MW (Da)
2.32
ALogP
7
HBA
3
HBD
121.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 7.15 | 7.15 | 71.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.92 | 6.26 | 120.0 | 2 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3608198 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 5.1 | 5.1 | 7900.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 51.0 | mL.min-1.g-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 71.0 | nM | 7.15 | Inhibition of PI3Kalpha (unknown origin) | 26206504 |
| Unchecked | IC50 | = | 120.0 | nM | 6.92 | Inhibition of PI3Kalpha in rat Rat1 cells assessed as reduction of Akt phosphory... | 26206504 |
| Unchecked | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of PI3Kgamma in rat Rat1 cells assessed as reduction of Akt phosphory... | 26206504 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of PI3Kdelta (unknown origin) | 26206504 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | IC50 | = | 4500.0 | nM | 5.35 | Inhibition of PI3Kbeta in rat Rat1 cells assessed as reduction of Akt phosphoryl... | 26206504 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | IC50 | = | 7900.0 | nM | 5.1 | Inhibition of PI3Kgamma (unknown origin) | 26206504 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26206504 | 10.1016/j.bmcl.2015.06.078 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | 2 |
| 26206504 | 10.1016/j.bmcl.2015.06.078 | Unchecked | 2 |
| 26206504 | 10.1016/j.bmcl.2015.06.078 | Caco-2 | 2 |
| 26206504 | 10.1016/j.bmcl.2015.06.078 | Albumin | 2 |
| 26206504 | 10.1016/j.bmcl.2015.06.078 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 26206504 | 10.1016/j.bmcl.2015.06.078 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
| 26206504 | 10.1016/j.bmcl.2015.06.078 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
| 26206504 | 10.1016/j.bmcl.2015.06.078 | No relevant target | 1 |
| 26206504 | 10.1016/j.bmcl.2015.06.078 | Liver microsome | 1 |
Data from ChEMBL 36 via Core Engine