Compound Detail
CHEMBL1703831
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
Basic Information
| ChEMBL ID | CHEMBL1703831 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSOOITRATZAWMN-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
302.3
MW (Da)
2.84
ALogP
4
HBA
1
HBD
51.1
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 6.72 | 5.955 | 190.0 | 2 |
| Hexokinase CHEMBL1741201 | IC50 | 5.36 | 5.36 | 4340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1ab | IC50 | = | 190.0 | nM | 6.72 | Inhibition of SARS-CoV-2 main protease using Mca-AVLQSGFRK(Dnp)K as substrate pr... | 34998903 |
| Hexokinase | IC50 | = | 4340.0 | nM | 5.36 | PUBCHEM_BIOASSAY: Confirmation assay for inhibitors of Trypanosoma brucei hexoki... | - |
| Replicase polyprotein 1ab | IC50 | = | 6400.0 | nM | 5.19 | Inhibition of SARS-CoV-2 RdRp | 34998903 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34998903 | 10.1016/j.bmcl.2022.128526 | Replicase polyprotein 1ab | 4 |
Data from ChEMBL 36 via Core Engine