Compound Detail
CHEMBL5421616
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
COc1ccc(S(=O)(=O)NCCSC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)c([N+](=O)[O-])c1
Basic Information
| ChEMBL ID | CHEMBL5421616 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NUWDRGOGLZOYEY-BGIGGGFGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
541.6
MW (Da)
-0.34
ALogP
14
HBA
4
HBD
217.8
PSA (Ų)
0.15
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1ab | IC50 | = | 900.0 | nM | 6.05 | 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