Compound Detail
CHEMBL2435609
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CC(C)C[C@H](NC(=O)c1c[nH]c2ccccc12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1
Basic Information
| ChEMBL ID | CHEMBL2435609 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YNXKLJCBBNQTSI-RTFZILSDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
545.7
MW (Da)
3.82
ALogP
6
HBA
4
HBD
133.1
PSA (Ų)
0.22
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1a CHEMBL3927 | Ki | 6.17 | 6.17 | 680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1a | Ki | = | 680.0 | nM | 6.17 | Inhibition of SARS coronavirus 3CL-protease by fluorescence assay | 23994330 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23994330 | 10.1016/j.ejmech.2013.07.037 | Replicase polyprotein 1a | 1 |
Data from ChEMBL 36 via Core Engine