Compound Detail
CHEMBL3309902
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CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@](C#N)(n2ccc(N)nc2=O)[C@](C)(O)[C@@H]1OC(=O)C(C)C)Oc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL3309902 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APNLQGCCYXIQIO-GSNKNOHASA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
621.6
MW (Da)
1.85
ALogP
14
HBA
3
HBD
214.3
PSA (Ų)
0.23
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 6.6 | 6.41 | 250.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 250.0 | nM | 6.6 | Antiviral activity against HCV1a assessed as inhibition of viral replication by ... | 24907145 |
| Hepatitis C virus | EC50 | = | 600.0 | nM | 6.22 | Antiviral activity against HCV1b assessed as inhibition of viral replication by ... | 24907145 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24907145 | 10.1016/j.bmcl.2014.05.015 | Hepatitis C virus | 2 |
Data from ChEMBL 36 via Core Engine