Compound Detail
CHEMBL5088848
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COCCNC(=O)c1cccc(Nc2nc(C)c(-c3cc4c(c(S(C)(=O)=O)c3)C(=O)N([C@@H](C)C3CC3)C4)s2)n1
Basic Information
| ChEMBL ID | CHEMBL5088848 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLNSZPSGBYDYIC-INIZCTEOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
569.7
MW (Da)
3.79
ALogP
9
HBA
2
HBD
130.6
PSA (Ų)
0.35
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 8.3 | 8.3 | 5.0 | 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 gamma isoform | IC50 | = | 0.7943 | nM | 9.1 | Inhibition of recombinant human PI3Kgamma assessed as reduction in ADP productio... | 34080862 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | IC50 | = | 5.012 | nM | 8.3 | 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