Compound Detail
CHEMBL448250
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Basic Information
| ChEMBL ID | CHEMBL448250 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LUHSCNMVHOIPAQ-BUHFOSPRSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
246.3
MW (Da)
3.25
ALogP
5
HBA
0
HBD
71.1
PSA (Ų)
0.47
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.1
IC50 2 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bovine viral diarrhea virus 1 CHEMBL612571 | EC50 | 6.1 | 6.1 | 800.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.52 | 4.51 | 30000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bovine viral diarrhea virus 1 | EC50 | = | 800.0 | nM | 6.1 | Antiviral activity against BVDV infected in MDBK cells assessed as protection ag... | 18760610 |
| Bovine viral diarrhea virus 1 | EC50 | = | 800.0 | nM | 6.1 | Antiviral activity against BVDV infected in MDCK cells assessed as inhibition of... | 20638852 |
| Unchecked | IC50 | = | 30000.0 | nM | 4.52 | Inhibition of hepatitis C virus RNA dependent NS5B polymerase | 20638852 |
| Unchecked | IC50 | = | 32000.0 | nM | 4.5 | Inhibition of BVDV RNA dependent NS5B polymerase | 20638852 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20638852 | 10.1016/j.bmc.2010.06.065 | Unchecked | 3 |
| 18760610 | 10.1016/j.bmc.2008.08.028 | ADMET | 2 |
| 18760610 | 10.1016/j.bmc.2008.08.028 | Vaccinia virus | 1 |
| 18760610 | 10.1016/j.bmc.2008.08.028 | Vesicular stomatitis virus | 1 |
| 18760610 | 10.1016/j.bmc.2008.08.028 | MT4 | 1 |
| 18760610 | 10.1016/j.bmc.2008.08.028 | Bovine viral diarrhea virus 1 | 1 |
| 18760610 | 10.1016/j.bmc.2008.08.028 | Yellow fever virus | 1 |
| 18760610 | 10.1016/j.bmc.2008.08.028 | Vero | 1 |
| 18760610 | 10.1016/j.bmc.2008.08.028 | Coxsackievirus B2 | 1 |
| 18760610 | 10.1016/j.bmc.2008.08.028 | Respiratory syncytial virus | 1 |
| 18760610 | 10.1016/j.bmc.2008.08.028 | Poliovirus 1 | 1 |
| 18760610 | 10.1016/j.bmc.2008.08.028 | Human immunodeficiency virus 1 | 1 |
| 20638852 | 10.1016/j.bmc.2010.06.065 | Bovine viral diarrhea virus 1 | 1 |
| 20638852 | 10.1016/j.bmc.2010.06.065 | MDCK | 1 |
Data from ChEMBL 36 via Core Engine