Compound Detail
CHEMBL4115084
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CC(C)Oc1ccc(-c2nn([C@H](C)c3oc4ccc(F)cc4c(=O)c3-c3cccc(F)c3)c3ncnc(N)c23)cc1F
Basic Information
| ChEMBL ID | CHEMBL4115084 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUVCFHHAEHNCFT-MRXNPFEDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
571.6
MW (Da)
6.66
ALogP
8
HBA
1
HBD
109.1
PSA (Ų)
0.24
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 5.84 | 5.84 | 1447.0 | 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 | = | 1447.0 | nM | 5.84 | Homogenous Time Resolved Fluorescence (HTRF) Assay: The homogenous time resolved... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36324498 | 10.1039/d2md00139j | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 36324498 | 10.1039/d2md00139j | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | 1 |
| 36324498 | 10.1039/d2md00139j | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
| 36324498 | 10.1039/d2md00139j | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
Data from ChEMBL 36 via Core Engine