Compound Detail
CHEMBL2059136
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(O)[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1cc(-c2cc[nH]n2)c2c(N)ncnc21
Basic Information
| ChEMBL ID | CHEMBL2059136 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QBIHFKIFLHGTEO-NZQZLILVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
586.3
MW (Da)
-0.24
ALogP
14
HBA
8
HBD
294.9
PSA (Ų)
0.15
QED
3
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 100.0 | nM | 7.0 | Inhibition of Hepatitis C virus NS5B polymerase | 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