Compound Detail
CHEMBL5900103
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CCOc1c([C@@H](C)n2nc(C)c3c(N)ncnc32)cc(Cl)c(C#N)c1[C@H]1CNC(=O)C1
Basic Information
| ChEMBL ID | CHEMBL5900103 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIEKNYURGTYVMT-VXGBXAGGSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
439.9
MW (Da)
2.85
ALogP
8
HBA
2
HBD
131.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 6.9 | 6.9 | 125.0 | 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 delta isoform | IC50 | = | 125.0 | nM | 6.9 | Scintillation Proximity Assay: The kinase reaction was conducted in polystyrene ... | - |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | IC50 | = | 125.0 | nM | 6.9 | PI3Kδ Scintillation Proximity Assay: The kinase reaction was conducted in polyst... | - |
Data from ChEMBL 36 via Core Engine