Compound Detail
CHEMBL3337577
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C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1c1cc(-c2ncc[nH]2)c2c(N)ncnn12
Basic Information
| ChEMBL ID | CHEMBL3337577 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODSCKMJFAQPKFM-ADGXKJENSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
346.4
MW (Da)
-0.75
ALogP
9
HBA
5
HBD
154.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 6.16 | 6.16 | 690.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 690.0 | nM | 6.16 | Antiviral activity against Hepatitis C virus genotype 1b in human HuH7 cells ass... | 25288185 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25288185 | 10.1016/j.bmcl.2014.09.030 | Hepatitis C virus | 1 |
| 25288185 | 10.1016/j.bmcl.2014.09.030 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine