Compound Detail
CHEMBL2441763
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CC(C)(C)[C@H](NC(=O)NC1CCCCC1)C(=O)N1CC2(Cc3ccccc3C2)C1C(=O)NC(CC1CCC1)C(=O)C(=O)NC1CC1
Basic Information
| ChEMBL ID | CHEMBL2441763 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLFUXYOFVFVACJ-PEKFUONFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
633.8
MW (Da)
3.55
ALogP
5
HBA
4
HBD
136.7
PSA (Ų)
0.29
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 5.24 | 5.24 | 5800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 5800.0 | nM | 5.24 | 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