Compound Detail
CHEMBL5568375
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CC(C)C[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)CNC(=O)N1CCC1
Basic Information
| ChEMBL ID | CHEMBL5568375 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTZJVNLZFFVAPX-BKHJTQGXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
615.7
MW (Da)
3.31
ALogP
6
HBA
4
HBD
145.9
PSA (Ų)
0.20
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human coronavirus OC43 CHEMBL5209665 | EC50 | 4.75 | 4.75 | 18000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human coronavirus OC43 | EC50 | = | 18000.0 | nM | 4.75 | 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