Compound Detail
CHEMBL3309900
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Basic Information
| ChEMBL ID | CHEMBL3309900 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GBKIDBUHRCYYAN-SSQAQTMGSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
283.2
MW (Da)
-2.78
ALogP
8
HBA
4
HBD
148.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.57 | 4.57 | 27000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 27000.0 | nM | 4.57 | Inhibition of HCV1b NS5B polymerase | 24907145 |
| Unchecked | IC50 | = | 27000.0 | nM | 4.57 | Inhibition of HCV genotype 1b NS5B RNA dependent RNA polymerase assessed as redu... | 25650256 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24907145 | 10.1016/j.bmcl.2014.05.015 | Hepatitis C virus | 2 |
| 25650256 | 10.1016/j.bmcl.2015.01.021 | Hepatitis C virus | 2 |
| 24907145 | 10.1016/j.bmcl.2014.05.015 | Unchecked | 1 |
| 25650256 | 10.1016/j.bmcl.2015.01.021 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine