Compound Detail
CHEMBL341112
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Basic Information
| ChEMBL ID | CHEMBL341112 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BZFARJUFSGWQCM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
251.3
MW (Da)
3.19
ALogP
2
HBA
2
HBD
57.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coxsackievirus B2 CHEMBL613202 | EC50 | 4.06 | 4.06 | 87000.0 | 1 |
| Bovine viral diarrhea virus 1 CHEMBL612571 | EC50 | 4.05 | 4.05 | 90000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coxsackievirus B2 | EC50 | = | 87000.0 | nM | 4.06 | Antiviral activity against Human coxsackievirus B2 Ohio-1 infected in african gr... | 20359898 |
| Bovine viral diarrhea virus 1 | EC50 | = | 90000.0 | nM | 4.05 | Antiviral activity against Bovine viral diarrhea virus NADL infected in MDBK cel... | 20359898 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20359898 | 10.1016/j.bmc.2010.02.037 | ADMET | 2 |
| 9986708 | 10.1021/jm981076x | MCF7 | 1 |
| 9986708 | 10.1021/jm981076x | MDA-MB-468 | 1 |
| 20359898 | 10.1016/j.bmc.2010.02.037 | Poliovirus 1 | 1 |
| 20359898 | 10.1016/j.bmc.2010.02.037 | Coxsackievirus B2 | 1 |
| 20359898 | 10.1016/j.bmc.2010.02.037 | Yellow fever virus | 1 |
| 20359898 | 10.1016/j.bmc.2010.02.037 | Bovine viral diarrhea virus 1 | 1 |
| 20359898 | 10.1016/j.bmc.2010.02.037 | Vero | 1 |
| 20359898 | 10.1016/j.bmc.2010.02.037 | MT4 | 1 |
| 20359898 | 10.1016/j.bmc.2010.02.037 | Human alphaherpesvirus 1 | 1 |
| 20359898 | 10.1016/j.bmc.2010.02.037 | Human immunodeficiency virus 1 | 1 |
| 20359898 | 10.1016/j.bmc.2010.02.037 | Vesicular stomatitis virus | 1 |
| 30296683 | 10.1016/j.ejmech.2018.09.060 | Unchecked | 1 |
| 30296683 | 10.1016/j.ejmech.2018.09.060 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine