Compound Detail
CHEMBL4637704
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Cn1c(-c2ccco2)c(C2CCCCC2)c2ccc(C(=O)N[C@@H](Cc3c[nH]c4ccc(O)cc34)c3cscn3)cc21
Basic Information
| ChEMBL ID | CHEMBL4637704 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HFZHTLMTPXGXLC-MHZLTWQESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
564.7
MW (Da)
7.84
ALogP
6
HBA
3
HBD
96.1
PSA (Ų)
0.18
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 50.0 | nM | 7.3 | Antiviral activity against HCV | 30639895 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30639895 | 10.1016/j.ejmech.2018.12.045 | Hepatitis C virus | 1 |
Data from ChEMBL 36 via Core Engine