Compound Detail
CHEMBL200474
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CCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL200474 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | STUZKRRDLCTWJJ-ZJZGAYNASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
675.8
MW (Da)
-0.83
ALogP
8
HBA
12
HBD
303.5
PSA (Ų)
0.04
QED
2
Ro5 Violations
24
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Genome polyprotein CHEMBL5419 | IC50 | 5.39 | 5.39 | 4100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Genome polyprotein | IC50 | = | 4100.0 | nM | 5.39 | Inhibition of WNV NS2B-NS3 protease | 19572550 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16246553 | 10.1016/j.bmcl.2005.09.062 | Genome polyprotein | 1 |
| 19572550 | 10.1021/jm900448m | Genome polyprotein | 1 |
Data from ChEMBL 36 via Core Engine