Compound Detail
CHEMBL3648336
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C=S(N)(=O)C1(c2cc(N3CCOC[C@H]3C)nc(-c3cccc4[nH]ccc34)n2)CCOCC1
Basic Information
| ChEMBL ID | CHEMBL3648336 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RWNZXDHIWFJWGA-FCBBPLNGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
455.6
MW (Da)
2.45
ALogP
6
HBA
2
HBD
106.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase ATR CHEMBL5024 | IC50 | 7.29 | 7.29 | 51.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase ATR | IC50 | = | 51.12 | nM | 7.29 | Cellular Assay: ATM and ATR have distinct and overlapping responses to DNA damag... | - |
Data from ChEMBL 36 via Core Engine