Compound Detail
CHEMBL3216649
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Basic Information
| ChEMBL ID | CHEMBL3216649 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YAVNKBSCZXWFJA-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1188908 |
| Active Moiety | CHEMBL1188908 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
347.4
MW (Da)
2.86
ALogP
7
HBA
1
HBD
90.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| A-375 CHEMBL613859 | IC50 | 5.41 | 5.41 | 3870.0 | 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 | = | 140.0 | nM | 6.85 | Inhibition of p110alpha by SPA assay | 17339109 |
| A-375 | IC50 | = | 3870.0 | nM | 5.41 | Antiproliferative activity against A375 cells | 17339109 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17339109 | 10.1016/j.bmcl.2007.02.032 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 17339109 | 10.1016/j.bmcl.2007.02.032 | A-375 | 1 |
Data from ChEMBL 36 via Core Engine