Compound Detail
CHEMBL404038
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Nc1ncnc2c1ncn2[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](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]3n3cnc4c(N)ncnc43)O[C@H]2n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL404038 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RTAGLZBJCCVJET-UQTMIEBXSA-N |
2
Targets
5
Activities
3
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
1165.6
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.64
Kd 2 meas. best 10.4
EC50 1 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 2-5A-dependent ribonuclease CHEMBL3575 | Kd | 10.4 | 10.03 | 0.0 | 2 |
| 2-5A-dependent ribonuclease CHEMBL3575 | EC50 | 9.3 | 9.3 | 0.5 | 1 |
| 2-5A-dependent ribonuclease CHEMBL2687 | IC50 | 8.64 | 8.58 | 2.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 2-5A-dependent ribonuclease | Kd | = | 0.04 | nM | 10.4 | Binding affinity to human recombinant RNase L | 17535916 |
| 2-5A-dependent ribonuclease | Kd | = | 0.22 | nM | 9.66 | Displacement of 5'-phosphorylated, 2',5'-oligoadenylate from human recombinant R... | 17535916 |
| 2-5A-dependent ribonuclease | EC50 | = | 0.5 | nM | 9.3 | Activation of human recombinant Rnase L assessed as cleavage of FRET RNA probe | 17535916 |
| 2-5A-dependent ribonuclease | IC50 | = | 2.3 | nM | 8.64 | Compound was tested for activation of RNase L by measuring concentration require... | 3712372 |
| 2-5A-dependent ribonuclease | IC50 | = | 3.0 | nM | 8.52 | Displacement of [125I]-labeled 2-5A from 2-5A dependent Ribonuclease L (RNase L)... | 14584943 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17535916 | 10.1073/pnas.0700590104 | 2-5A-dependent ribonuclease | 6 |
| 3712372 | 10.1021/jm00156a020 | 2-5A-dependent ribonuclease | 4 |
| 14584943 | 10.1021/jm030035k | 2-5A-dependent ribonuclease | 2 |
| 6196481 | 10.1021/jm00366a003 | Nucleic Acid | 2 |
| 6196481 | 10.1021/jm00366a003 | Unchecked | 2 |
| 6737414 | 10.1021/jm00372a004 | 2-5A-dependent ribonuclease | 1 |
Data from ChEMBL 36 via Core Engine