Compound Detail
CHEMBL234445
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CC(C)OC(=O)OCOP1(=O)O[C@H]2O[C@@H](n3cnc4c(N(C)NS(C)(=O)=O)nc(N)nc43)[C@](C)(O)[C@@H]2O1
Basic Information
| ChEMBL ID | CHEMBL234445 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QBSHAYIZXSVACW-CKGNJFKESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
567.5
MW (Da)
-0.03
ALogP
17
HBA
3
HBD
228.8
PSA (Ų)
0.16
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 6.79 | 6.79 | 163.0 | 1 |
| Bovine viral diarrhea virus 1 CHEMBL612571 | EC50 | 6.67 | 6.67 | 216.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 163.0 | nM | 6.79 | Antiviral activity against hepatitis C virus replication | 17331721 |
| Bovine viral diarrhea virus 1 | EC50 | = | 216.0 | nM | 6.67 | Antiviral activity against Bovine viral diarrhea virus 1 | 17331721 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17331721 | 10.1016/j.bmcl.2007.02.030 | Hepatitis C virus | 1 |
| 17331721 | 10.1016/j.bmcl.2007.02.030 | Bovine viral diarrhea virus 1 | 1 |
Data from ChEMBL 36 via Core Engine