Compound Detail
CHEMBL1940442
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 | CHEMBL1940442 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KZAFDEDOTRCZKP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
243.7
MW (Da)
2.16
ALogP
5
HBA
0
HBD
67.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 4.64 | 4.64 | 23000.0 | 1 |
| Human alphaherpesvirus 1 CHEMBL377 | EC50 | 4.29 | 4.29 | 51000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 23000.0 | nM | 4.64 | Antiviral activity against Bovine viral diarrhea virus 1-NADL infected in MDBK c... | 22047799 |
| Human alphaherpesvirus 1 | EC50 | = | 51000.0 | nM | 4.29 | Antiviral activity against Human herpesvirus 1 strain KOS infected in african gr... | 22047799 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22047799 | 10.1016/j.bmc.2011.10.009 | NON-PROTEIN TARGET | 2 |
| 22047799 | 10.1016/j.bmc.2011.10.009 | MT4 | 1 |
| 22047799 | 10.1016/j.bmc.2011.10.009 | Human immunodeficiency virus 1 | 1 |
| 22047799 | 10.1016/j.bmc.2011.10.009 | ADMET | 1 |
| 22047799 | 10.1016/j.bmc.2011.10.009 | BHK-21 | 1 |
| 22047799 | 10.1016/j.bmc.2011.10.009 | Yellow fever virus | 1 |
| 22047799 | 10.1016/j.bmc.2011.10.009 | Reovirus sp. | 1 |
| 22047799 | 10.1016/j.bmc.2011.10.009 | Vero | 1 |
| 22047799 | 10.1016/j.bmc.2011.10.009 | Coxsackievirus B5 | 1 |
| 22047799 | 10.1016/j.bmc.2011.10.009 | Poliovirus 1 | 1 |
| 22047799 | 10.1016/j.bmc.2011.10.009 | Human orthopneumovirus | 1 |
| 22047799 | 10.1016/j.bmc.2011.10.009 | Vesicular stomatitis Indiana virus | 1 |
| 22047799 | 10.1016/j.bmc.2011.10.009 | Human alphaherpesvirus 1 | 1 |
Data from ChEMBL 36 via Core Engine