Compound Detail
CHEMBL1910994
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Basic Information
| ChEMBL ID | CHEMBL1910994 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXKJSHLBFVTJRX-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
443.5
MW (Da)
0.76
ALogP
10
HBA
0
HBD
104.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.46 | 7.46 | 35.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.4 | 6.355 | 400.0 | 2 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL2499 | IC50 | 6.23 | 6.23 | 590.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 35.0 | nM | 7.46 | Inhibition of bovine recombinant PI3K p110delta expressed in Sf21 insect cells u... | 21882832 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | IC50 | = | 230.0 | nM | 6.64 | Inhibition of human recombinant PI3K p110beta expressed in Sf21 insect cells usi... | 21882832 |
| NON-PROTEIN TARGET | IC50 | = | 400.0 | nM | 6.4 | Antiproliferative activity against human NZB5 cells expressing wild type p110alp... | 21882832 |
| NON-PROTEIN TARGET | IC50 | = | 490.0 | nM | 6.31 | Antiproliferative activity against human NZOV9 cells expressing p110alpha kinase... | 21882832 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 590.0 | nM | 6.23 | Inhibition of mouse recombinant PI3K p110alpha expressed in Sf21 insect cells us... | 21882832 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21882832 | 10.1021/jm200688y | NON-PROTEIN TARGET | 2 |
| 21882832 | 10.1021/jm200688y | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 21882832 | 10.1021/jm200688y | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | 1 |
| 21882832 | 10.1021/jm200688y | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine