Compound Detail
CHEMBL2402694
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Basic Information
| ChEMBL ID | CHEMBL2402694 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UOLAOYICLMOOLN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
358.3
MW (Da)
4.44
ALogP
3
HBA
1
HBD
55.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1a CHEMBL3927 | Ki | 5.5 | 5.5 | 3200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1a | Ki | = | 3200.0 | nM | 5.5 | Inhibition of SARS coronavirus Chymotrypsin-like protease | 23747811 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23747811 | 10.1016/j.ejmech.2013.05.005 | Replicase polyprotein 1a | 1 |
Data from ChEMBL 36 via Core Engine