Compound Detail
CHEMBL448063
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL448063 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCMUEKDJFWJLTB-DQRAZIAOSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
388.2
MW (Da)
6.04
ALogP
3
HBA
0
HBD
28.0
PSA (Ų)
0.57
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 1 CHEMBL377 | EC50 | 4.6 | 4.6 | 25000.0 | 1 |
| Poliovirus 1 CHEMBL613556 | EC50 | 4.6 | 4.6 | 25000.0 | 1 |
| Coxsackievirus B2 CHEMBL613202 | EC50 | 4.38 | 4.38 | 42000.0 | 1 |
| Bovine viral diarrhea virus 1 CHEMBL612571 | EC50 | 4.21 | 4.21 | 61000.0 | 1 |
| Yellow fever virus CHEMBL613731 | EC50 | 4.1 | 4.1 | 80000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poliovirus 1 | EC50 | = | 25000.0 | nM | 4.6 | Antiviral activity against Sb1 virus infected in Vero76 cells assessed as reduct... | 18760610 |
| Human alphaherpesvirus 1 | EC50 | = | 25000.0 | nM | 4.6 | Antiviral activity against HSV1 infected in Vero76 cells assessed as reduction i... | 18760610 |
| Coxsackievirus B2 | EC50 | = | 42000.0 | nM | 4.38 | Antiviral activity against CVB2 infected in Vero76 cells assessed as reduction i... | 18760610 |
| Bovine viral diarrhea virus 1 | EC50 | = | 61000.0 | nM | 4.21 | Antiviral activity against BVDV infected in MDBK cells assessed as protection ag... | 18760610 |
| Yellow fever virus | EC50 | = | 80000.0 | nM | 4.1 | Antiviral activity against YFV infected in BHK21 cells assessed as protection ag... | 18760610 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 alphaherpesvirus 1 | 1 |
| 18760610 | 10.1016/j.bmc.2008.08.028 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine