Compound Detail
CHEMBL5832151
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CO[C@@H]1CCN(c2cc3c4c(c2)nc(-c2ccc5oc(N)nc5c2)n4CCCCO3)[C@@H]1C(N)=O
Basic Information
| ChEMBL ID | CHEMBL5832151 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJGFOUDSYQETDE-NQIIRXRSSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
462.5
MW (Da)
2.68
ALogP
9
HBA
2
HBD
134.7
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | Ki | 9.77 | 9.77 | 0.2 | 1 |
| Unchecked CHEMBL612545 | Ki | 9.77 | 9.77 | 0.2 | 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 | Ki | = | 0.171 | nM | 9.77 | p110alpha (alpha) PI3K Binding Assay: PI3K Binding assays are intended for deter... | - |
| Unchecked | Ki | = | 0.171 | nM | 9.77 | TBD: TBD | - |
Data from ChEMBL 36 via Core Engine