Compound Detail
CHEMBL2376264
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CCO[C@@H]1[C@H](OCC)[C@@H](OCC)C[C@@H]2c3cc4c(cc3C(=O)N(CC)[C@@H]12)OCO4
Basic Information
| ChEMBL ID | CHEMBL2376264 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BRMSXXOVLXJRJZ-FLVLUOKASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
405.5
MW (Da)
2.96
ALogP
6
HBA
0
HBD
66.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 4.37 | 4.37 | 43000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 43000.0 | nM | 4.37 | Antiviral activity against Hepatitis C virus infected in human Huh7.5 cells afte... | 23511018 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23511018 | 10.1016/j.bmcl.2013.02.089 | Unchecked | 1 |
| 23511018 | 10.1016/j.bmcl.2013.02.089 | Hepatitis C virus | 1 |
| 23511018 | 10.1016/j.bmcl.2013.02.089 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine