Compound Detail
CHEMBL5777256
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COc1c(C(C)n2ccc(=O)c3c(N)ncnc32)cc(Cl)c(C)c1-c1ccc(C(=O)N(C)C)nc1
Basic Information
| ChEMBL ID | CHEMBL5777256 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MYTVYESWXXZGCZ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
493.0
MW (Da)
3.72
ALogP
8
HBA
1
HBD
116.2
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 6.43 | 6.43 | 375.0 | 3 |
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 | = | 375.0 | nM | 6.43 | PI3K delta Scintillation Proximity Assay: [γ-33P]ATP (10 mCi/mL) was purchased f... | - |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | IC50 | = | 375.0 | nM | 6.43 | Scintillation Proximity Assay: [γ-33P]ATP (10 mCi/mL) was purchased from PerkinE... | - |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | IC50 | = | 375.0 | nM | 6.43 | Scintillation Proximity Assay: The kinase reaction was conducted in polystyrene ... | - |
Data from ChEMBL 36 via Core Engine