Compound Detail
CHEMBL3794521
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CCOC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2cnc3c(OC)nc(ONC(=O)OCc4ccccc4)nc32)[C@](C)(O)[C@@H]1O)Oc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL3794521 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMLBLWHZRFOBIB-LLVFQGEESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
716.6
MW (Da)
2.81
ALogP
16
HBA
4
HBD
223.9
PSA (Ų)
0.08
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 5.39 | 5.39 | 4100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 4100.0 | nM | 5.39 | Antiviral activity against HCV infected in HuH7 Clone B cells assessed as inhibi... | 26819659 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26819659 | 10.1021/acsmedchemlett.5b00402 | Hepatitis C virus | 2 |
| 26819659 | 10.1021/acsmedchemlett.5b00402 | PBMC | 1 |
| 26819659 | 10.1021/acsmedchemlett.5b00402 | CCRF-CEM | 1 |
| 26819659 | 10.1021/acsmedchemlett.5b00402 | Vero | 1 |
| 26819659 | 10.1021/acsmedchemlett.5b00402 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine