Compound Detail
CHEMBL5936722
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Cc1nc(Nc2cccc(N3CCNCC3=O)n2)sc1-c1cc2c(c(S(=O)(=O)NC(C)C)c1)C(=O)N([C@@H](C)C1CC1)C2
Basic Information
| ChEMBL ID | CHEMBL5936722 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLRIOJGDWOEVMT-SFHVURJKSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
609.8
MW (Da)
3.63
ALogP
9
HBA
3
HBD
136.6
PSA (Ų)
0.33
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 8.96 | 8.96 | 1.1 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.82 | 8.82 | 1.5 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 6.87 | 6.87 | 134.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145 | IC50 | 6.38 | 6.38 | 415.0 | 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 | = | 1.1 | nM | 8.96 | Enzymatic Activity Assay : The activity of recombinant human PI3Kγ ((aa144-1102)... | - |
| Unchecked | IC50 | = | 1.5 | nM | 8.82 | Enzymatic Activity Assay : The activity of recombinant human PI3Kγ ((aa144-1102)... | - |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 134.0 | nM | 6.87 | Enzymatic Activity Assay : The activity of recombinant human PI3Kγ ((aa144-1102)... | - |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | IC50 | = | 415.0 | nM | 6.38 | Enzymatic Activity Assay : The activity of recombinant human PI3Kγ ((aa144-1102)... | - |
Data from ChEMBL 36 via Core Engine