Compound Detail
CHEMBL5809990
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COc1ccc(CN(Cc2ccc(OC)cc2)c2cc([C@@H](C)N[S@+]([O-])C(C)(C)C)c(Cl)nn2)cc1
Basic Information
| ChEMBL ID | CHEMBL5809990 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JJOFQZSFNSGSRO-QORVUAJLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
517.1
MW (Da)
5.47
ALogP
7
HBA
1
HBD
82.6
PSA (Ų)
0.36
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 8.7 | 8.7 | 2.0 | 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 | = | 2.0 | nM | 8.7 | Fluorescent Determination of PI3K Enzyme Activity: PI3K kinases including p110α/... | - |
Data from ChEMBL 36 via Core Engine