Compound Detail
CHEMBL3645179
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CCN(c1cc2nn(-c3ccc(Nc4ccc(F)cc4)cc3)c(C(=O)NC)c2cc1C1CC1)S(C)(=O)=O
Basic Information
| ChEMBL ID | CHEMBL3645179 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCXFNNXNOQUUDC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
521.6
MW (Da)
4.93
ALogP
6
HBA
2
HBD
96.3
PSA (Ų)
0.34
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Genome polyprotein CHEMBL3707464 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Genome polyprotein CHEMBL6040 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Genome polyprotein | IC50 | = | 20.0 | nM | 7.7 | Inhibition Assay: HCV polymerase inhibition assay: HCV polymerase reactions were... | - |
| Genome polyprotein | IC50 | = | 110.0 | nM | 6.96 | Inhibition Assay: HCV polymerase inhibition assay: HCV polymerase reactions were... | - |
Data from ChEMBL 36 via Core Engine