Compound Detail
CHEMBL5175263
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C[C@H]1OC(=O)N(c2nc(-c3cnc(N)nc3C(F)(F)F)cc(N3CCOCC3)n2)[C@H]1CN1CC[S+]([O-])CC1
Basic Information
| ChEMBL ID | CHEMBL5175263 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GCSAIIBFWKMPEV-CJNGLKHVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
556.6
MW (Da)
1.15
ALogP
11
HBA
1
HBD
145.9
PSA (Ų)
0.53
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL5169092 | IC50 | 5.34 | 5.34 | 4600.0 | 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 | = | 4600.0 | nM | 5.34 | Inhibition of PI3Kalpha in rat Rat1 cells assessed as reduction in phosphorylati... | 35500094 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35500094 | 10.1021/acs.jmedchem.2c00267 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 35500094 | 10.1021/acs.jmedchem.2c00267 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | 1 |
| 35500094 | 10.1021/acs.jmedchem.2c00267 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine