Compound Detail
CHEMBL5421268
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(C)(NC(=O)Cc1csc(NC(=O)CSc2nc3nccnc3c(=O)n2CCc2ccccc2)n1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL5421268 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WBXQHPRLMAYBJC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
599.7
MW (Da)
4.21
ALogP
10
HBA
2
HBD
131.8
PSA (Ų)
0.17
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha CHEMBL1075102 | IC50 | 7.25 | 7.105 | 56.0 | 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 alpha | IC50 | = | 56.0 | nM | 7.25 | Inhibition of PI3KC2alpha deltaN domain (unknown origin) preincubated for 5 mins... | 37819647 |
| Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha | IC50 | = | 109.0 | nM | 6.96 | Inhibition of recombinant GST-tagged human PI3KC2alpha (142 to 1412 residues) ex... | 37819647 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37819647 | 10.1021/acs.jmedchem.3c01319 | Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha | 2 |
| 37819647 | 10.1021/acs.jmedchem.3c01319 | Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta | 1 |
| 37819647 | 10.1021/acs.jmedchem.3c01319 | Phosphatidylinositol 3-kinase C2 domain-containing subunit gamma | 1 |
| 37819647 | 10.1021/acs.jmedchem.3c01319 | Unchecked | 1 |
| 37819647 | 10.1021/acs.jmedchem.3c01319 | HEK293 | 1 |
| 37819647 | 10.1021/acs.jmedchem.3c01319 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine