Compound Detail
CHEMBL5661866
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Basic Information
| ChEMBL ID | CHEMBL5661866 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFGCPKNDCXIERA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
489.5
MW (Da)
5.02
ALogP
6
HBA
2
HBD
110.9
PSA (Ų)
0.36
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.2 | 7.2 | 63.0 | 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 alpha isoform | IC50 | = | 1.0 | nM | 9.0 | Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate preincubated fo... | 24900173 |
| Unchecked | IC50 | = | 63.0 | nM | 7.2 | Inhibition of Akt phosphorylation at S473 residue (unknown origin) by cell based... | 24900173 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900173 | 10.1021/ml900028r | ADMET | 1 |
| 24900173 | 10.1021/ml900028r | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 24900173 | 10.1021/ml900028r | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine