Compound Detail
CHEMBL5827314
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C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2cccc(Cl)c2c(=O)n1[C@H]1C[C@@H](O)C1
Basic Information
| ChEMBL ID | CHEMBL5827314 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTHRNFFLSRMPKO-XHNCKOQMSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
436.3
MW (Da)
2.53
ALogP
9
HBA
4
HBD
145.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| Phosphatidylinositol 3-kinase regulatory subunit beta CHEMBL4437 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 5.8 | 5.8 | 1587.0 | 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 | = | 14.0 | nM | 7.85 | a time-resolved fluorescence resonance energy transfer (TR-FRET) assay: Class I ... | - |
| Phosphatidylinositol 3-kinase regulatory subunit beta | IC50 | = | 190.0 | nM | 6.72 | a time-resolved fluorescence resonance energy transfer (TR-FRET) assay: Class I ... | - |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | IC50 | = | 1587.0 | nM | 5.8 | a time-resolved fluorescence resonance energy transfer (TR-FRET) assay: Class I ... | - |
Data from ChEMBL 36 via Core Engine