Compound Detail
CHEMBL4863602
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
NCCOc1cccc2c1Nc1nc(=O)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc1O2
Basic Information
| ChEMBL ID | CHEMBL4863602 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFHLONFJAGLUOB-XKVFNRALSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
392.4
MW (Da)
-0.96
ALogP
11
HBA
5
HBD
161.3
PSA (Ų)
0.37
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SARS-CoV-2 CHEMBL4303835 | EC50 | 5.6 | 5.6 | 2520.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SARS-CoV-2 | EC50 | = | 2520.0 | nM | 5.6 | Antiviral activity against SARS COV-2 infected in monkey vero cells assessed as ... | 33894564 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33894564 | 10.1016/j.ejmech.2021.113467 | Vero | 1 |
| 33894564 | 10.1016/j.ejmech.2021.113467 | SARS-CoV-2 | 1 |
Data from ChEMBL 36 via Core Engine