Compound Detail
CHEMBL4093601
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C[C@@]1(F)[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1c1cnc2c(N)ncnn12
Basic Information
| ChEMBL ID | CHEMBL4093601 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YEHQEJXGZWWIFK-HGIWHZBTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
523.2
MW (Da)
-0.42
ALogP
13
HBA
6
HBD
258.4
PSA (Ų)
0.24
QED
3
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 150.0 | nM | 6.82 | Inhibition of HCV genotype 1b wild-type NS5B RNA dependent RNA polymerase | 28274633 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28274633 | 10.1016/j.bmcl.2017.02.037 | Unchecked | 5 |
| 28274633 | 10.1016/j.bmcl.2017.02.037 | Hepatitis C virus | 1 |
| 28274633 | 10.1016/j.bmcl.2017.02.037 | RNA-directed RNA polymerase | 1 |
| 28274633 | 10.1016/j.bmcl.2017.02.037 | DNA polymerase beta | 1 |
Data from ChEMBL 36 via Core Engine