Compound Detail
CHEMBL2402692
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
COC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C
Basic Information
| ChEMBL ID | CHEMBL2402692 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMJOQABPDRNNJZ-MSFXJGGISA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
558.7
MW (Da)
2.21
ALogP
7
HBA
4
HBD
151.9
PSA (Ų)
0.20
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.04
Ki 1 meas. best 6.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1a CHEMBL3927 | Ki | 6.18 | 6.18 | 660.0 | 1 |
| Replicase polyprotein 1a CHEMBL3927 | IC50 | 5.04 | 5.04 | 9100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1a | Ki | = | 660.0 | nM | 6.18 | Inhibition of SARS coronavirus Chymotrypsin-like protease | 23747811 |
| Replicase polyprotein 1a | IC50 | = | 9100.0 | nM | 5.04 | 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 | 2 |
Data from ChEMBL 36 via Core Engine