Compound Detail
CHEMBL3134254
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)CCC(=O)N(C)C
Basic Information
| ChEMBL ID | CHEMBL3134254 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RMOQSDOSOUYDCF-IHPCNDPISA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
476.6
MW (Da)
1.38
ALogP
6
HBA
3
HBD
133.9
PSA (Ų)
0.37
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.23 | 5.785 | 590.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 590.0 | nM | 6.23 | Inhibition of Norwalk virus recombinant His6-tagged protease using EDANS-EPDFHLQ... | 24244836 |
| Unchecked | Ki | = | 4600.0 | nM | 5.34 | Inhibition of Houston virus recombinant His6-tagged protease using EDANS-EPDFHLQ... | 24244836 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24244836 | 10.1039/c3md00219e | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine