Compound Detail
CHEMBL3680909
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C[C@@H](Nc1ncnc(N)c1C#N)c1nc2ccccn2c(=O)c1-c1ccccc1S(C)(=O)=O
Basic Information
| ChEMBL ID | CHEMBL3680909 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OAJJKJQNHKZCLO-CYBMUJFWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
461.5
MW (Da)
2.18
ALogP
10
HBA
2
HBD
156.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | Ki | 4.61 | 4.61 | 24600.0 | 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 | Ki | = | 24600.0 | nM | 4.61 | Alphascreen Assays : A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was ... | - |
Data from ChEMBL 36 via Core Engine