Compound Detail
CHEMBL3704739
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Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C)c4N4CCN(C)[C@H](C(C)C)C4)cc2OCC3)n(C(C)C)n1
Basic Information
| ChEMBL ID | CHEMBL3704739 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PGXUWTLJGWBYGR-VWLOTQADSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
529.7
MW (Da)
4.27
ALogP
10
HBA
0
HBD
82.1
PSA (Ų)
0.38
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 10.32 | 10.32 | 0.0 | 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 | = | 0.048 | nM | 10.32 | Inhibition Assay: PI3K enzymatic activity was assayed by measuring the amount of... | - |
Data from ChEMBL 36 via Core Engine