Compound Detail
CHEMBL6022542
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CNS(=O)(=O)c1cc(-c2sc(Nc3cccc(N4CCN(CCO)CC4=O)n3)nc2C)cc2c1C(=O)N([C@@H](C)C1CC1)C2
Basic Information
| ChEMBL ID | CHEMBL6022542 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNKHOYDAZIEJFF-SFHVURJKSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
625.8
MW (Da)
2.56
ALogP
10
HBA
3
HBD
148.1
PSA (Ų)
0.31
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 9.15 | 9.15 | 0.7 | 1 |
| Unchecked CHEMBL612545 | IC50 | 9.05 | 9.05 | 0.9 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145 | IC50 | 6.32 | 6.32 | 481.0 | 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 | = | 0.7 | nM | 9.15 | Enzymatic Activity Assay : The activity of recombinant human PI3Kγ ((aa144-1102)... | - |
| Unchecked | IC50 | = | 0.9 | nM | 9.05 | Enzymatic Activity Assay : The activity of recombinant human PI3Kγ ((aa144-1102)... | - |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 27.0 | nM | 7.57 | Enzymatic Activity Assay : The activity of recombinant human PI3Kγ ((aa144-1102)... | - |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | IC50 | = | 481.0 | nM | 6.32 | Enzymatic Activity Assay : The activity of recombinant human PI3Kγ ((aa144-1102)... | - |
Data from ChEMBL 36 via Core Engine