Compound Detail
CHEMBL5266576
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Cc1cc(C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](/C=C\C(=O)OCc2ccccc2)C[C@@H]2CCNC2=O)C(C)C)no1
Basic Information
| ChEMBL ID | CHEMBL5266576 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDBWWEGDLCFCTD-NQJFWITJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
680.8
MW (Da)
2.08
ALogP
9
HBA
5
HBD
197.8
PSA (Ų)
0.12
QED
1
Ro5 Violations
17
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SARS-CoV-2 CHEMBL4303835 | EC50 | 4.78 | 4.78 | 16770.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SARS-CoV-2 | EC50 | = | 16770.0 | nM | 4.78 | Antiviral activity against SARS-CoV-2 infected in Vero E6 cells assessed as redu... | 33486200 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33486200 | 10.1016/j.ejmech.2021.113157 | SARS-CoV-2 | 1 |
Data from ChEMBL 36 via Core Engine