Compound Detail
CHEMBL398229
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Basic Information
| ChEMBL ID | CHEMBL398229 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HLFJMXLDHKSAOD-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
382.2
MW (Da)
5.00
ALogP
3
HBA
0
HBD
30.7
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bovine viral diarrhea virus 1 CHEMBL612571 | EC50 | 6.92 | 6.92 | 120.0 | 2 |
| Hepatitis C virus CHEMBL379 | EC50 | 6.0 | 5.76 | 1000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bovine viral diarrhea virus 1 | EC50 | = | 120.0 | nM | 6.92 | Antiviral activity against BVDV in MDBK cells assessed as reduction of virus-ind... | 17084081 |
| Bovine viral diarrhea virus 1 | EC50 | = | 120.0 | nM | 6.92 | Antiviral activity against BVDV in MDBK cells | 17656093 |
| Hepatitis C virus | EC50 | = | 1000.0 | nM | 6.0 | Antiviral activity against HCV in Huh 5-2 cells assessed as reduction of virus-i... | 17084081 |
| Hepatitis C virus | EC50 | = | 3000.0 | nM | 5.52 | Antiviral activity against HCV in Huh 5-2 cells | 17656093 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17084081 | 10.1016/j.bmcl.2006.10.039 | ADMET | 2 |
| 17084081 | 10.1016/j.bmcl.2006.10.039 | Unchecked | 2 |
| 17656093 | 10.1016/j.bmcl.2007.07.015 | ADMET | 2 |
| 17656093 | 10.1016/j.bmcl.2007.07.015 | Unchecked | 2 |
| 17084081 | 10.1016/j.bmcl.2006.10.039 | Bovine viral diarrhea virus 1 | 1 |
| 17084081 | 10.1016/j.bmcl.2006.10.039 | Hepatitis C virus | 1 |
| 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