Compound Detail
CHEMBL5766761
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Cc1nc(Nc2cccc(N3CCNCC3=O)n2)sc1-c1cc2c(c(S(C)(=O)=O)c1)C(=O)N([C@@H](C)C1CC1)C2
Basic Information
| ChEMBL ID | CHEMBL5766761 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSEKNBCKQHQTBI-INIZCTEOSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
566.7
MW (Da)
3.35
ALogP
9
HBA
2
HBD
124.6
PSA (Ų)
0.45
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.8 | 8.8 | 1.6 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 8.77 | 8.77 | 1.7 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 6.98 | 6.98 | 104.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145 | IC50 | 6.14 | 6.14 | 729.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1.6 | nM | 8.8 | Enzymatic Activity Assay : The activity of recombinant human PI3Kγ ((aa144-1102)... | - |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | IC50 | = | 1.7 | nM | 8.77 | Enzymatic Activity Assay : The activity of recombinant human PI3Kγ ((aa144-1102)... | - |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 104.0 | nM | 6.98 | Enzymatic Activity Assay : The activity of recombinant human PI3Kγ ((aa144-1102)... | - |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | IC50 | = | 729.0 | nM | 6.14 | Enzymatic Activity Assay : The activity of recombinant human PI3Kγ ((aa144-1102)... | - |
Data from ChEMBL 36 via Core Engine