Compound Detail
CHEMBL2057531
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CCOC(=O)[C@@H](C)NP(=O)(OC[C@H]1O[C@@H](n2cc(-c3ccn[nH]3)c3c(N)ncnc32)[C@](C)(O)[C@@H]1O)Oc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL2057531 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTDRBCBNRIWDQU-MSAXPDMRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
601.6
MW (Da)
2.16
ALogP
13
HBA
5
HBD
209.0
PSA (Ų)
0.12
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 5.75 | 5.75 | 1800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 1800.0 | nM | 5.75 | Antiviral activity against Hepatitis C virus genotype 1b infected in human HBI10... | 22770556 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22770556 | 10.1016/j.bmc.2012.05.067 | Hepatitis C virus | 1 |
Data from ChEMBL 36 via Core Engine