Compound Detail
CHEMBL5439086
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Nc1ncnc2c1ncn2[C@@H]1O[C@H](CS(=O)(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL5439086 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BWKDZASABSHFCP-SCFUHWHPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
543.5
MW (Da)
-1.67
ALogP
14
HBA
4
HBD
242.8
PSA (Ų)
0.17
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 4.56 | 4.56 | 27400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1ab | IC50 | = | 27400.0 | nM | 4.56 | 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