Compound Detail
CHEMBL5423053
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL5423053 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DUBRZTPIZZHOLG-SCFUHWHPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
511.5
MW (Da)
-0.35
ALogP
13
HBA
4
HBD
208.6
PSA (Ų)
0.16
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 5.33 | 5.33 | 4700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1ab | IC50 | = | 4700.0 | nM | 5.33 | Inhibition of N-terminal hexa-histidine tagged recombinant SARS-CoV-2 nsp14 RNA ... | 38516599 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38516599 | 10.1039/d3md00737e | Replicase polyprotein 1ab | 2 |
Data from ChEMBL 36 via Core Engine