Compound Detail
CHEMBL2059135
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C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cc(-c2ccccc2)c2c(N)ncnc21
Basic Information
| ChEMBL ID | CHEMBL2059135 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABYOCCRGYFOCPN-AXYPVASZSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
356.4
MW (Da)
0.68
ALogP
8
HBA
4
HBD
126.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 4.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 4.57 | 4.4233 | 27070.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 27070.0 | nM | 4.57 | Antiviral activity against Hepatitis C virus subtype 1b replicons infected in hu... | 22877872 |
| Hepatitis C virus | EC50 | = | 35430.0 | nM | 4.45 | Antiviral activity against Hepatitis C virus subtype 1a replicons infected in hu... | 22877872 |
| Hepatitis C virus | EC50 | = | 56000.0 | nM | 4.25 | Antiviral activity against Hepatitis C virus genotype 1b infected in human HBI10... | 22770556 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22877872 | 10.1016/j.bmc.2012.07.003 | Unchecked | 2 |
| 22877872 | 10.1016/j.bmc.2012.07.003 | Hepatitis C virus | 2 |
| 22770556 | 10.1016/j.bmc.2012.05.067 | Unchecked | 1 |
| 22770556 | 10.1016/j.bmc.2012.05.067 | Hepatitis C virus | 1 |
| 22877872 | 10.1016/j.bmc.2012.07.003 | Huh-7 | 1 |
Data from ChEMBL 36 via Core Engine