Compound Detail
CHEMBL2373178
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Nc1ncnc2c1nc(N)n2[C@@H]1O[C@H](COP(=O)(O)O[C@@H]2[C@H](O)[C@@H](COP(=O)(O)O[C@@H]3[C@H](O)[C@@H](CO)O[C@H]3n3c(N)nc4c(N)ncnc43)O[C@H]2n2c(N)nc3c(N)ncnc32)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL2373178 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FCIYIDIUXMFILO-FJVAVWNESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
970.7
MW (Da)
-4.87
ALogP
32
HBA
13
HBD
527.3
PSA (Ų)
0.05
QED
3
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 2-5A-dependent ribonuclease CHEMBL2687 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 2-5A-dependent ribonuclease | IC50 | = | 100000.0 | nM | 4.0 | Displacement of [125I]-labeled 2-5A from 2-5A dependent Ribonuclease L (RNase L)... | 14584943 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14584943 | 10.1021/jm030035k | 2-5A-dependent ribonuclease | 2 |
Data from ChEMBL 36 via Core Engine