Compound Detail
CHEMBL2325722
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CS(=O)(=O)C1(c2cc(N3CCOCC3)nc(-c3cccc4[nH]c(C(N)=O)cc34)n2)CC1
Basic Information
| ChEMBL ID | CHEMBL2325722 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPPJXPIUZCFOSQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
441.5
MW (Da)
1.59
ALogP
7
HBA
2
HBD
131.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase ATR CHEMBL5024 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase ATR | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of ATR in human HeLa cell nuclear extracts using glutathione S-transf... | 23394205 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23394205 | 10.1021/jm301859s | Serine/threonine-protein kinase ATR | 2 |
Data from ChEMBL 36 via Core Engine