Compound Detail
CHEMBL3651555
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O=C1Cn2c(-c3ccc(OCc4cc(N5CCCC5=O)ccc4N4CCOCC4)cc3)c(C3CCCCC3)c3ccc(cc32)C(=O)NS(=O)(=O)C/C=C\CCN1
Basic Information
| ChEMBL ID | CHEMBL3651555 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OACKMZGAMZKRFR-KXFIGUGUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
780.0
MW (Da)
6.03
ALogP
9
HBA
2
HBD
139.3
PSA (Ų)
0.22
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Genome polyprotein CHEMBL3638332 | IC50 | 7.4 | 7.4 | 40.0 | 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: Inhibition assay using HCV NS5B. | - |
Data from ChEMBL 36 via Core Engine