Compound Detail
CHEMBL212454
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
O=C(Oc1ccc(S(=O)(=O)c2ccc(OC(=O)C(Cl)=C(Cl)Cl)cc2)cc1)C(Cl)=C(Cl)Cl
Basic Information
| ChEMBL ID | CHEMBL212454 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXYPMMAPDRFFTM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
565.0
MW (Da)
6.10
ALogP
6
HBA
0
HBD
86.7
PSA (Ų)
0.24
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1a CHEMBL3927 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| Unchecked CHEMBL612545 | 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 1a | IC50 | = | 900.0 | nM | 6.05 | Inhibition of SARS coronavirus main protease | 16913704 |
| Unchecked | IC50 | = | 900.0 | nM | 6.05 | Inhibition of SARS CoV N-terminal his-tagged Main protease using Dabcyl-KTSAVLQS... | 34798775 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16913704 | 10.1021/jm060207o | Replicase polyprotein 1a | 1 |
| 34798775 | 10.1021/acs.jmedchem.1c00409 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine