Compound Detail
CHEMBL3309899
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
Basic Information
| ChEMBL ID | CHEMBL3309899 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ILYLNMSNZGYPEX-SSQAQTMGSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
282.3
MW (Da)
-2.50
ALogP
9
HBA
4
HBD
154.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.12
IC50 2 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.75 | 4.75 | 17700.0 | 2 |
| Hepatitis C virus CHEMBL379 | EC50 | 4.12 | 4.12 | 76000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 17700.0 | nM | 4.75 | Inhibition of HCV1b NS5B polymerase | 24907145 |
| Unchecked | IC50 | = | 17700.0 | nM | 4.75 | Inhibition of HCV genotype 1b NS5B RNA dependent RNA polymerase assessed as redu... | 25650256 |
| Hepatitis C virus | EC50 | = | 76000.0 | nM | 4.12 | Antiviral activity against HCV1a assessed as inhibition of viral replication by ... | 24907145 |
| Hepatitis C virus | EC50 | = | 76000.0 | nM | 4.12 | Antiviral activity against HCV genotype 1a infected in human HuH7 cells by repli... | 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