Compound Detail
CHEMBL398216
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Basic Information
| ChEMBL ID | CHEMBL398216 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UVQAXTOLGBMLLQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
421.8
MW (Da)
5.79
ALogP
4
HBA
0
HBD
39.9
PSA (Ų)
0.39
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 6.7 | 6.7 | 200.0 | 1 |
| Bovine viral diarrhea virus 1 CHEMBL612571 | EC50 | 6.42 | 6.42 | 380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 200.0 | nM | 6.7 | Antiviral activity against HCV in Huh 5-2 cells | 17656093 |
| Bovine viral diarrhea virus 1 | EC50 | = | 380.0 | nM | 6.42 | Antiviral activity against BVDV in MDBK cells | 17656093 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17656093 | 10.1016/j.bmcl.2007.07.015 | ADMET | 2 |
| 17656093 | 10.1016/j.bmcl.2007.07.015 | Unchecked | 2 |
| 17656093 | 10.1016/j.bmcl.2007.07.015 | Bovine viral diarrhea virus 1 | 1 |
| 17656093 | 10.1016/j.bmcl.2007.07.015 | Hepatitis C virus | 1 |
Data from ChEMBL 36 via Core Engine