Compound Detail
CHEMBL607600
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[N-]=[N+]=Nc1nc2c(N)ncnc2n1C1O[C@H](COP(=O)(O)O[C@H]2C(n3c(N=[N+]=[N-])nc4c(N)ncnc43)O[C@H](COP(=O)(O)O)[C@H]2O)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL607600 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLKBALXUIOMALU-IXVYOMHZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
758.5
MW (Da)
-0.80
ALogP
22
HBA
8
HBD
438.4
PSA (Ų)
0.04
QED
3
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 2-5A-dependent ribonuclease CHEMBL2687 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 2-5A-dependent ribonuclease | IC50 | = | 5000.0 | nM | 5.3 | 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