Compound Detail
CHEMBL259606
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COCCN(CCOC)c1oc2cc(OC)ccc2c(=O)c1Cc1c(OC(C)=O)ccc2c(C)cc(=O)oc12
Basic Information
| ChEMBL ID | CHEMBL259606 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDTUDFQXVICQJH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
537.6
MW (Da)
3.83
ALogP
10
HBA
0
HBD
117.7
PSA (Ų)
0.16
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Respiratory syncytial virus CHEMBL612679 | EC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Bovine viral diarrhea virus 1 CHEMBL612571 | EC50 | 4.21 | 4.21 | 61000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Respiratory syncytial virus | EC50 | = | 5000.0 | nM | 5.3 | Antiviral activity against RSV A2 in VERO76 cells assessed as reduction of plaqu... | 18054491 |
| Bovine viral diarrhea virus 1 | EC50 | = | 61000.0 | nM | 4.21 | Antiviral activity against BVDV NADL in MDBK cells assessed as protection from v... | 18054491 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18054491 | 10.1016/j.bmc.2007.11.045 | MT4 | 1 |
| 18054491 | 10.1016/j.bmc.2007.11.045 | Bovine viral diarrhea virus 1 | 1 |
| 18054491 | 10.1016/j.bmc.2007.11.045 | Yellow fever virus | 1 |
| 18054491 | 10.1016/j.bmc.2007.11.045 | Respiratory syncytial virus | 1 |
| 18054491 | 10.1016/j.bmc.2007.11.045 | Poliovirus 1 | 1 |
| 18054491 | 10.1016/j.bmc.2007.11.045 | Vesicular stomatitis virus | 1 |
| 18054491 | 10.1016/j.bmc.2007.11.045 | Vaccinia virus | 1 |
| 18054491 | 10.1016/j.bmc.2007.11.045 | Reovirus sp. | 1 |
| 18054491 | 10.1016/j.bmc.2007.11.045 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine