Compound Detail
CHEMBL3643416
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COc1ncc(N2CCc3ncnc(N[C@H]4CCN(C(=O)C5CCN(C(C)=O)CC5)C4)c3C2)cc1C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL3643416 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KEEZOTQEGXGSEX-SFHVURJKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
547.6
MW (Da)
2.73
ALogP
8
HBA
1
HBD
103.8
PSA (Ų)
0.61
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 6.92 | 6.92 | 121.0 | 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 delta isoform | IC50 | = | 6.0 | nM | 8.22 | Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in... | - |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 121.0 | nM | 6.92 | Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in... | - |
Data from ChEMBL 36 via Core Engine