Compound Detail
CHEMBL1213168
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Basic Information
| ChEMBL ID | CHEMBL1213168 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKCRYIPVXLGUJT-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
454.5
MW (Da)
4.33
ALogP
7
HBA
2
HBD
102.4
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 7.05 | 7.05 | 90.0 | 3 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 5.0 | 5.0 | 10000.0 | 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 | = | 90.0 | nM | 7.05 | Inhibition of p110delta | 20081827 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | IC50 | = | 90.0 | nM | 7.05 | Inhibition of PI3Kdelta | 22924688 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | IC50 | = | 90.0 | nM | 7.05 | Inhibition of N-terminal 6x-his-tagged human recombinant PIK3Cdelta (431 to 600 ... | 27644332 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 400.0 | nM | 6.4 | Inhibition of p110alpha | 20081827 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of p110beta | 20081827 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of p110gamma | 20081827 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22924688 | 10.1021/jm300847w | Unchecked | 3 |
| 20081827 | 10.1038/nchembio.293 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 20081827 | 10.1038/nchembio.293 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | 1 |
| 20081827 | 10.1038/nchembio.293 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
| 20081827 | 10.1038/nchembio.293 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
| 22924688 | 10.1021/jm300847w | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
| 27644332 | 10.1021/acs.jmedchem.6b00963 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
Data from ChEMBL 36 via Core Engine