Compound Detail
CHEMBL5400782
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N#C[C@H](Cc1n[nH]c2ccccc12)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)C(F)(F)F)C1CCCCC1
Basic Information
| ChEMBL ID | CHEMBL5400782 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YLAVENCFGPWWEF-QKIJQESPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
558.6
MW (Da)
3.37
ALogP
5
HBA
3
HBD
131.0
PSA (Ų)
0.48
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human coronavirus OC43 CHEMBL5209665 | EC50 | 5.31 | 5.31 | 4887.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human coronavirus OC43 | EC50 | = | 4887.0 | nM | 5.31 | Antiviral activity against HCoV-OC43 infected in human MRC5 cells assessed as re... | 37182612 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37182612 | 10.1016/j.bmcl.2023.129324 | Replicase polyprotein 1ab | 1 |
| 37182612 | 10.1016/j.bmcl.2023.129324 | Human coronavirus OC43 | 1 |
Data from ChEMBL 36 via Core Engine