Compound Detail
CHEMBL473780
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C#CCCCO/N=C1/[C@H]2CCN3C(=O)N(c4ccccc4)CN3[C@H]2[C@H](O)[C@@H]2O[C@H]12
Basic Information
| ChEMBL ID | CHEMBL473780 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IFPZSPRYKRRFIP-MEWPUZRHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
396.4
MW (Da)
1.42
ALogP
6
HBA
1
HBD
81.1
PSA (Ų)
0.35
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 1400.0 | nM | 5.85 | Antiviral activity against HCV replication in human HuH7 cells expressing Rep-Fe... | 17682098 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17682098 | 10.1128/aac.00233-07 | Hepatitis C virus | 1 |
| 17682098 | 10.1128/aac.00233-07 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine