Compound Detail
CHEMBL2059351
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C[C@@]1(F)[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1cc(-c2ccn[nH]2)c2c(N)ncnc21
Basic Information
| ChEMBL ID | CHEMBL2059351 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GBBBLCXMUJZZNH-NZQZLILVSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
588.3
MW (Da)
0.73
ALogP
13
HBA
7
HBD
274.7
PSA (Ų)
0.17
QED
3
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.46
IC50 1 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| Hepatitis C virus CHEMBL379 | EC50 | 4.46 | 4.46 | 35000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 70.0 | nM | 7.16 | Inhibition of Hepatitis C virus NS5B polymerase | 22770556 |
| Hepatitis C virus | EC50 | = | 35000.0 | nM | 4.46 | 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 | Unchecked | 4 |
| 22770556 | 10.1016/j.bmc.2012.05.067 | Hepatitis C virus | 1 |
Data from ChEMBL 36 via Core Engine