Compound Detail
CHEMBL5568534
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Cc1cc(C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCCNC2=O)C(O)C(=O)NC2CC2)no1
Basic Information
| ChEMBL ID | CHEMBL5568534 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCAPXHUXZJJBPD-WXCNSCFMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
674.8
MW (Da)
2.05
ALogP
8
HBA
6
HBD
191.8
PSA (Ų)
0.14
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human coronavirus OC43 CHEMBL5209665 | EC50 | 4.43 | 4.43 | 36700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human coronavirus OC43 | EC50 | = | 36700.0 | nM | 4.43 | Antiviral activity against Human coronavirus OC43 infected in Vero cells assesse... | 38432056 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38432056 | 10.1016/j.ejmech.2024.116263 | SARS-CoV-2 | 2 |
| 38432056 | 10.1016/j.ejmech.2024.116263 | Human coronavirus OC43 | 2 |
| 38432056 | 10.1016/j.ejmech.2024.116263 | Unchecked | 1 |
| 38432056 | 10.1016/j.ejmech.2024.116263 | CCRF-CEM | 1 |
| 38432056 | 10.1016/j.ejmech.2024.116263 | ADMET | 1 |
| 38432056 | 10.1016/j.ejmech.2024.116263 | Huh-7 | 1 |
Data from ChEMBL 36 via Core Engine