Compound Detail
CHEMBL5197015
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Cc1nc(Nc2cccc(N3CCOC3=O)n2)sc1-c1cc2c(c(S(=O)(=O)NC3COC3)c1)C(=O)N([C@@H](C)C1CC1)C2
Basic Information
| ChEMBL ID | CHEMBL5197015 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCXVWMWEFKRQCE-INIZCTEOSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
610.7
MW (Da)
3.65
ALogP
10
HBA
2
HBD
143.1
PSA (Ų)
0.37
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 8.85 | 8.85 | 1.4 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 6.33 | 6.33 | 472.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145 | IC50 | 5.47 | 5.47 | 3421.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1.2 | nM | 8.92 | Enzymatic Activity Assay : The activity of recombinant human PI3Kγ ((aa144-1102)... | - |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | IC50 | = | 1.4 | nM | 8.85 | Enzymatic Activity Assay : The activity of recombinant human PI3Kγ ((aa144-1102)... | - |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 472.0 | nM | 6.33 | Enzymatic Activity Assay : The activity of recombinant human PI3Kγ ((aa144-1102)... | - |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | IC50 | = | 3421.0 | nM | 5.47 | Enzymatic Activity Assay : The activity of recombinant human PI3Kγ ((aa144-1102)... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35569689 | 10.1016/j.bmcl.2022.128786 | No relevant target | 2 |
Data from ChEMBL 36 via Core Engine