Compound Detail
CHEMBL3423233
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Basic Information
| ChEMBL ID | CHEMBL3423233 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FQMHZYUWCLAMFC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
404.3
MW (Da)
5.91
ALogP
3
HBA
1
HBD
29.9
PSA (Ų)
0.45
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Respiratory syncytial virus CHEMBL612679 | EC50 | 5.05 | 5.05 | 9000.0 | 1 |
| Bovine viral diarrhea virus 1 CHEMBL612571 | EC50 | 4.51 | 4.51 | 31000.0 | 1 |
| Yellow fever virus CHEMBL613731 | EC50 | 4.5 | 4.5 | 32000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Respiratory syncytial virus | EC50 | = | 9000.0 | nM | 5.05 | Antiviral activity against RSV infected in African green monkey Vero 76 cells af... | 25913116 |
| Bovine viral diarrhea virus 1 | EC50 | = | 31000.0 | nM | 4.51 | Antiviral activity against BVDV infected in bovine MDBK cells assessed as protec... | 25913116 |
| Yellow fever virus | EC50 | = | 32000.0 | nM | 4.5 | Antiviral activity against YFV infected in hamster BHK21 cells assessed as prote... | 25913116 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25913116 | 10.1016/j.bmcl.2015.04.006 | ADMET | 3 |
| 25913116 | 10.1016/j.bmcl.2015.04.006 | Unchecked | 3 |
| 25913116 | 10.1016/j.bmcl.2015.04.006 | Bovine viral diarrhea virus 1 | 1 |
| 25913116 | 10.1016/j.bmcl.2015.04.006 | Yellow fever virus | 1 |
| 25913116 | 10.1016/j.bmcl.2015.04.006 | Respiratory syncytial virus | 1 |
| 25913116 | 10.1016/j.bmcl.2015.04.006 | MT4 | 1 |
| 25913116 | 10.1016/j.bmcl.2015.04.006 | Human immunodeficiency virus 1 | 1 |
| 25913116 | 10.1016/j.bmcl.2015.04.006 | NON-PROTEIN TARGET | 1 |
| 25913116 | 10.1016/j.bmcl.2015.04.006 | Coxsackievirus B5 | 1 |
| 25913116 | 10.1016/j.bmcl.2015.04.006 | Enterovirus C | 1 |
| 25913116 | 10.1016/j.bmcl.2015.04.006 | Vaccinia virus | 1 |
| 25913116 | 10.1016/j.bmcl.2015.04.006 | Human alphaherpesvirus 1 | 1 |
| 25913116 | 10.1016/j.bmcl.2015.04.006 | Vesicular stomatitis virus | 1 |
Data from ChEMBL 36 via Core Engine