Compound Detail
CHEMBL5844919
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COc1ccc(CN(Cc2ccc(OC)cc2)c2cc([C@H](C)N[S+]([O-])C(C)(C)C)c(-c3ccccc3C)nn2)cc1
Basic Information
| ChEMBL ID | CHEMBL5844919 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WLDAFMKORBHDLI-JDRJKRQWSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
572.8
MW (Da)
6.79
ALogP
7
HBA
1
HBD
82.6
PSA (Ų)
0.20
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 6.84 | 6.84 | 146.0 | 1 |
| Phosphatidylinositol 3-kinase regulatory subunit beta CHEMBL4437 | IC50 | 6.43 | 6.43 | 371.0 | 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 | = | 4.0 | nM | 8.4 | Fluorescent Determination of PI3K Enzyme Activity: PI3K kinases including p110α/... | - |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | IC50 | = | 146.0 | nM | 6.84 | Fluorescent Determination of PI3K Enzyme Activity: PI3K kinases including p110α/... | - |
| Phosphatidylinositol 3-kinase regulatory subunit beta | IC50 | = | 371.0 | nM | 6.43 | Fluorescent Determination of PI3K Enzyme Activity: PI3K kinases including p110α/... | - |
Data from ChEMBL 36 via Core Engine