Compound Detail
CHEMBL3354565
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CC(=O)Nc1ccc2nc(-c3cccc(NS(=O)(=O)c4ccccc4)c3)nc(N3CCOCC3)c2c1
Basic Information
| ChEMBL ID | CHEMBL3354565 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APSUSKFJHUBJPP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
503.6
MW (Da)
3.89
ALogP
7
HBA
2
HBD
113.5
PSA (Ų)
0.41
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta CHEMBL5554 | IC50 | 6.2 | 6.2 | 630.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta | IC50 | = | 630.0 | nM | 6.2 | Inhibition of human PI3KC2beta by non-radiometric ADP-Glo assay | 25589915 |
| Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta | IC50 | = | 630.0 | nM | 6.2 | Inhibition of GST-tagged human recombinant PI3KC2beta expressed in Sf9 cells | 27644332 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25589915 | 10.1021/ml500354e | Unchecked | 3 |
| 27644332 | 10.1021/acs.jmedchem.6b00963 | Unchecked | 2 |
| 25589915 | 10.1021/ml500354e | Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta | 1 |
| 25589915 | 10.1021/ml500354e | Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha | 1 |
| 25589915 | 10.1021/ml500354e | Phosphatidylinositol 3-kinase C2 domain-containing subunit gamma | 1 |
| 27644332 | 10.1021/acs.jmedchem.6b00963 | Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta | 1 |
Data from ChEMBL 36 via Core Engine