Compound Detail
CHEMBL3974381
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Cc1ccc2nc(-c3ccc4nc(-c5ccc(N)cc5)sc4c3)sc2c1S(=O)(=O)[O-].[Na+]
Basic Information
| ChEMBL ID | CHEMBL3974381 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSRNHSYYBLEMOI-UHFFFAOYSA-M |
| Parent Compound | CHEMBL3990589 |
| Active Moiety | CHEMBL3990589 |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
453.6
MW (Da)
5.38
ALogP
7
HBA
2
HBD
106.2
PSA (Ų)
0.28
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.0 | 4.748 | 10000.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of Hepatitis C virus genotype 1b (con1) full length C-terminal His-ta... | 27474921 |
| Unchecked | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of Hepatitis C virus genotype 1b NS3 helicase unwinding activity usin... | 28089348 |
| Unchecked | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of HCV NS3 helicase DNA unwinding activity using fluorescent DNA subs... | 27810598 |
| Unchecked | IC50 | = | 40000.0 | nM | 4.4 | Inhibition of protease domain lacking Hepatitis C virus genotype 1b (con1) C-ter... | 27474921 |
| Unchecked | IC50 | = | 46000.0 | nM | 4.34 | Inhibition of Cy5-labeled dT15 DNA binding to Hepatitis C virus genotype 1b (con... | 27474921 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27474921 | 10.1016/j.ejmech.2016.07.035 | Unchecked | 4 |
| 28089348 | 10.1016/j.bmcl.2016.12.087 | Unchecked | 1 |
| 27810598 | 10.1016/j.ejmech.2016.10.043 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine