Compound Detail
CHEMBL3966155
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Cc1c(Cc2c(CO)nc3c(N)cc(N4CCOCC4)nn23)cccc1C(F)(F)F.O=S(=O)(O)O
Basic Information
| ChEMBL ID | CHEMBL3966155 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DEDLWDFEOVXFPA-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3991283 |
| Active Moiety | CHEMBL3991283 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
421.4
MW (Da)
2.56
ALogP
7
HBA
2
HBD
88.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145 | IC50 | 7.39 | 7.335 | 41.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | IC50 | = | 41.0 | nM | 7.39 | Inhibition of PI3Kbeta in human PC3 cells assessed as suppression of AKT phospho... | 27994725 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | IC50 | = | 52.0 | nM | 7.28 | Inhibition of PI3Kbeta in human PC3 cells assessed as suppression of AKT phospho... | 27994725 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27994725 | 10.1021/acsmedchemlett.6b00406 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | 3 |
| 27994725 | 10.1021/acsmedchemlett.6b00406 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 27994725 | 10.1021/acsmedchemlett.6b00406 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
| 27994725 | 10.1021/acsmedchemlett.6b00406 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
| 27994725 | 10.1021/acsmedchemlett.6b00406 | Serine/threonine-protein kinase mTOR | 1 |
Data from ChEMBL 36 via Core Engine