Compound Detail
CHEMBL2441774
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CCCC(NC(=O)C1N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c2cnccn2)C2CCCCC2)C(C)(C)C)CC12CCCCC2)C(=O)C(=O)NCCF
Basic Information
| ChEMBL ID | CHEMBL2441774 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RURVLKCNIFFMDR-HEDUPXIISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
699.9
MW (Da)
2.79
ALogP
8
HBA
4
HBD
179.6
PSA (Ų)
0.21
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 5.27 | 5.27 | 5400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 5400.0 | nM | 5.27 | Antiviral activity against Hepatitis C virus infected in human HuH7 cells assess... | 24135727 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24135727 | 10.1016/j.bmcl.2013.09.068 | Hepatitis C virus | 2 |
| 24135727 | 10.1016/j.bmcl.2013.09.068 | Huh-7 | 1 |
| 24135727 | 10.1016/j.bmcl.2013.09.068 | Vero | 1 |
| 24135727 | 10.1016/j.bmcl.2013.09.068 | CCRF-CEM | 1 |
| 24135727 | 10.1016/j.bmcl.2013.09.068 | PBMC | 1 |
Data from ChEMBL 36 via Core Engine