Compound Detail
CHEMBL403170
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
CC(C)CCn1nc(-c2cccs2)c(O)c(C2=NS(=O)(=O)c3cc(OC(C)C(N)=O)ccc3N2)c1=O
Basic Information
| ChEMBL ID | CHEMBL403170 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BPHLZVCJUQBQLM-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
531.6
MW (Da)
2.54
ALogP
10
HBA
3
HBD
166.0
PSA (Ų)
0.40
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.68
IC50 1 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | IC50 | 7.21 | 7.21 | 62.0 | 1 |
| Hepatitis C virus CHEMBL379 | EC50 | 6.68 | 6.68 | 210.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.2167 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | IC50 | = | 62.0 | nM | 7.21 | Inhibition of HCV 1b NS5B polymerase | 18242088 |
| Hepatitis C virus | EC50 | = | 210.0 | nM | 6.68 | Antiviral activity against HCV 1b in Huh7/C24 cells after 72 hrs by replicon ass... | 18242088 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18242088 | 10.1016/j.bmcl.2008.01.007 | Hepatitis C virus | 2 |
| 18242088 | 10.1016/j.bmcl.2008.01.007 | Liver microsomes | 1 |
| 18242088 | 10.1016/j.bmcl.2008.01.007 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine