Compound Detail
CHEMBL4450615
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Basic Information
| ChEMBL ID | CHEMBL4450615 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCDKNQLNLXQSJE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
257.3
MW (Da)
3.85
ALogP
3
HBA
0
HBD
38.7
PSA (Ų)
0.52
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 6.19 | 6.19 | 650.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 5.09 | 5.09 | 8100.0 | 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 | = | 650.0 | nM | 6.19 | Inhibition of recombinant PI3Kalpha (unknown origin) using phosphatidyl inositol... | 27563400 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | IC50 | = | 8100.0 | nM | 5.09 | Inhibition of PI3Kdelta (unknown origin) assessed as reduction in ADP formation ... | 27563400 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27563400 | 10.1021/acsmedchemlett.6b00119 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 27563400 | 10.1021/acsmedchemlett.6b00119 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | 1 |
| 27563400 | 10.1021/acsmedchemlett.6b00119 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
| 27563400 | 10.1021/acsmedchemlett.6b00119 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
| 27563400 | 10.1021/acsmedchemlett.6b00119 | Serine/threonine-protein kinase mTOR | 1 |
Data from ChEMBL 36 via Core Engine