Compound Detail
CHEMBL383725
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Basic Information
| ChEMBL ID | CHEMBL383725 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DTZJIZCNNNVZIT-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
413.2
MW (Da)
4.17
ALogP
2
HBA
0
HBD
37.4
PSA (Ų)
0.47
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.96
IC50 1 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1a CHEMBL3927 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Replicase polyprotein 1a CHEMBL3927 | Ki | 5.96 | 5.96 | 1096.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1a | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of SARS CoV 3C-like protease | 16759084 |
| Replicase polyprotein 1a | Ki | = | 1100.0 | nM | 5.96 | Inhibition of SARS CoV 3C-like protease | 16759084 |
| Replicase polyprotein 1a | Ki | = | 1096.48 | nM | 5.96 | Inhibition of SARS CoV 3C-like protease | 16759084 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16759084 | 10.1021/jm0602357 | Replicase polyprotein 1a | 3 |
Data from ChEMBL 36 via Core Engine