Compound Detail
CHEMBL5958558
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Basic Information
| ChEMBL ID | CHEMBL5958558 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JPHPERUUCDZAEX-AWEZNQCLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
449.4
MW (Da)
2.57
ALogP
9
HBA
4
HBD
150.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Phosphatidylinositol 3-kinase regulatory subunit beta CHEMBL4437 | IC50 | 7.36 | 7.36 | 44.0 | 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 | = | 12.0 | nM | 7.92 | a time-resolved fluorescence resonance energy transfer (TR-FRET) assay: Class I ... | - |
| Phosphatidylinositol 3-kinase regulatory subunit beta | IC50 | = | 44.0 | nM | 7.36 | a time-resolved fluorescence resonance energy transfer (TR-FRET) assay: Class I ... | - |
Data from ChEMBL 36 via Core Engine