Compound Detail
CHEMBL5085312
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CC(=O)Nc1nc(C)c(-c2cc3c(c(S(=O)(=O)Nc4cc(C#N)cc(S(C)(=O)=O)c4)c2)C(=O)N([C@@H](C)C2CC2)C3)s1
Basic Information
| ChEMBL ID | CHEMBL5085312 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKEPKQMDLXYSKW-HNNXBMFYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
613.7
MW (Da)
3.91
ALogP
9
HBA
2
HBD
166.4
PSA (Ų)
0.39
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 8.9 | 8.9 | 1.3 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 7.6 | 7.6 | 25.1 | 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 gamma isoform | IC50 | = | 1.259 | nM | 8.9 | Inhibition of recombinant human PI3Kgamma assessed as reduction in ADP productio... | 34080862 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | IC50 | = | 25.12 | nM | 7.6 | Inhibition of recombinant human PI3Kdelta assessed as reduction in ADP productio... | 34080862 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34080862 | 10.1021/acs.jmedchem.1c00434 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
| 34080862 | 10.1021/acs.jmedchem.1c00434 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
Data from ChEMBL 36 via Core Engine