Compound Detail
CHEMBL3645211
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CNC(=O)c1c2cc(C3CC3)c(N(CCC3COC(C)(C)OC3)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1
Basic Information
| ChEMBL ID | CHEMBL3645211 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YWQNEOKUXRIHPA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
605.6
MW (Da)
4.58
ALogP
7
HBA
1
HBD
102.8
PSA (Ų)
0.40
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Genome polyprotein CHEMBL3707464 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Genome polyprotein CHEMBL6040 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Genome polyprotein | IC50 | = | 40.0 | nM | 7.4 | Inhibition Assay: HCV polymerase inhibition assay: HCV polymerase reactions were... | - |
| Genome polyprotein | IC50 | = | 70.0 | nM | 7.16 | Inhibition Assay: HCV polymerase inhibition assay: HCV polymerase reactions were... | - |
Data from ChEMBL 36 via Core Engine