Compound Detail
CHEMBL228872
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Basic Information
| ChEMBL ID | CHEMBL228872 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XAUZUYVAWDTWEY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
378.3
MW (Da)
5.17
ALogP
3
HBA
0
HBD
30.7
PSA (Ų)
0.49
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bovine viral diarrhea virus 1 CHEMBL612571 | EC50 | 6.4 | 6.4 | 400.0 | 1 |
| Hepatitis C virus CHEMBL379 | EC50 | 5.09 | 5.09 | 8200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bovine viral diarrhea virus 1 | EC50 | = | 400.0 | nM | 6.4 | Antiviral activity against BVDV in MDBK cells assessed as reduction of virus-ind... | 17084081 |
| Hepatitis C virus | EC50 | = | 8200.0 | nM | 5.09 | Antiviral activity against HCV in Huh 5-2 cells assessed as reduction of virus-i... | 17084081 |
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 |
| 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 |
Data from ChEMBL 36 via Core Engine