Compound Detail
CHEMBL573842
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Basic Information
| ChEMBL ID | CHEMBL573842 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QEKHPSUBQMWDHQ-RZLHGTIFSA-N |
| Parent Compound | CHEMBL1197485 |
| Active Moiety | CHEMBL1197485 |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
327.4
MW (Da)
4.37
ALogP
6
HBA
1
HBD
83.1
PSA (Ų)
0.34
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 1 CHEMBL377 | EC50 | 5.22 | 5.22 | 6000.0 | 1 |
| Yellow fever virus CHEMBL613731 | EC50 | 5.16 | 5.16 | 7000.0 | 1 |
| Coxsackievirus B2 CHEMBL613202 | EC50 | 4.96 | 4.96 | 11000.0 | 1 |
| Bovine viral diarrhea virus 1 CHEMBL612571 | EC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human alphaherpesvirus 1 | EC50 | = | 6000.0 | nM | 5.22 | Antiviral activity against HSV1 infected in Vero-76 cells after 3 days by plaque... | 19482481 |
| Yellow fever virus | EC50 | = | 7000.0 | nM | 5.16 | Antiviral activity against Yellow fever virus infected in BHK-21 cells assessed ... | 19482481 |
| Coxsackievirus B2 | EC50 | = | 11000.0 | nM | 4.96 | Antiviral activity against Coxsackie virus type B2 virus infected in african gre... | 19482481 |
| Bovine viral diarrhea virus 1 | EC50 | = | 16000.0 | nM | 4.8 | Antiviral activity against Bovine viral diarrhea virus infected in MDBK cells as... | 19482481 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19482481 | 10.1016/j.bmc.2009.05.020 | ADMET | 2 |
| 19482481 | 10.1016/j.bmc.2009.05.020 | Human alphaherpesvirus 1 | 1 |
| 19482481 | 10.1016/j.bmc.2009.05.020 | Respiratory syncytial virus | 1 |
| 19482481 | 10.1016/j.bmc.2009.05.020 | Coxsackievirus B2 | 1 |
| 19482481 | 10.1016/j.bmc.2009.05.020 | Vero | 1 |
| 19482481 | 10.1016/j.bmc.2009.05.020 | Mammalian orthoreovirus 1 | 1 |
| 19482481 | 10.1016/j.bmc.2009.05.020 | Yellow fever virus | 1 |
| 19482481 | 10.1016/j.bmc.2009.05.020 | Bovine viral diarrhea virus 1 | 1 |
| 19482481 | 10.1016/j.bmc.2009.05.020 | MT4 | 1 |
| 19482481 | 10.1016/j.bmc.2009.05.020 | Human immunodeficiency virus 1 | 1 |
| 19482481 | 10.1016/j.bmc.2009.05.020 | Vesicular stomatitis virus | 1 |
| 19482481 | 10.1016/j.bmc.2009.05.020 | Vaccinia virus | 1 |
| 19482481 | 10.1016/j.bmc.2009.05.020 | Poliovirus 1 | 1 |
Data from ChEMBL 36 via Core Engine