Compound Detail
CHEMBL3134256
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CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)CCC(=O)N(C)C
Basic Information
| ChEMBL ID | CHEMBL3134256 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OHDWKVYPXXXMFD-ACRUOGEOSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
533.6
MW (Da)
0.63
ALogP
7
HBA
4
HBD
177.0
PSA (Ų)
0.23
QED
1
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.51 | 5.94 | 310.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 310.0 | nM | 6.51 | Inhibition of Norwalk virus recombinant His6-tagged protease using EDANS-EPDFHLQ... | 24244836 |
| Unchecked | Ki | = | 4300.0 | nM | 5.37 | 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