Compound Detail
CHEMBL3309901
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CC(C)OC(=O)[C@H](C)N[P@](=O)(Cc1ccccc1)OC[C@H]1O[C@@](C#N)(n2ccc(N)nc2=O)[C@](C)(O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL3309901 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWSUNKGAVVLXDY-XRIUFFLBSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
549.5
MW (Da)
0.85
ALogP
12
HBA
4
HBD
199.0
PSA (Ų)
0.24
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 5.92 | 5.8 | 1200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 1200.0 | nM | 5.92 | Antiviral activity against HCV1a assessed as inhibition of viral replication by ... | 24907145 |
| Hepatitis C virus | EC50 | = | 2100.0 | nM | 5.68 | 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 | 3 |
Data from ChEMBL 36 via Core Engine