Compound Detail
CHEMBL574549
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FC(F)(F)c1cccc(/N=N/c2ccc(NC[C@@H]3CCCN4CCCC[C@H]34)c3c2CCCC3)c1
Basic Information
| ChEMBL ID | CHEMBL574549 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HCOWUAFXTHSHPE-YIODESGFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
470.6
MW (Da)
7.68
ALogP
4
HBA
1
HBD
40.0
PSA (Ų)
0.46
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bovine viral diarrhea virus 1 CHEMBL612571 | EC50 | 5.16 | 5.16 | 7000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bovine viral diarrhea virus 1 | EC50 | = | 7000.0 | nM | 5.16 | 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