Compound Detail
CHEMBL3134258
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CN(C)C(=O)CC[C@@H](C=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL3134258 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FHJOWTRDKMGYDZ-VABKMULXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
553.6
MW (Da)
0.44
ALogP
7
HBA
4
HBD
177.0
PSA (Ų)
0.23
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 1600.0 | nM | 5.8 | Inhibition of Norwalk virus recombinant His6-tagged protease using EDANS-EPDFHLQ... | 24244836 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24244836 | 10.1039/c3md00219e | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine