Compound Detail
CHEMBL409924
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Basic Information
| ChEMBL ID | CHEMBL409924 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LHDGWWBBXZORGD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
498.5
MW (Da)
4.06
ALogP
8
HBA
0
HBD
81.5
PSA (Ų)
0.22
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bovine viral diarrhea virus 1 CHEMBL612571 | EC50 | 4.11 | 4.11 | 77000.0 | 1 |
| Respiratory syncytial virus CHEMBL612679 | EC50 | 4.07 | 4.07 | 85000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bovine viral diarrhea virus 1 | EC50 | = | 77000.0 | nM | 4.11 | Antiviral activity against BVDV NADL in MDBK cells assessed as protection from v... | 18054491 |
| Respiratory syncytial virus | EC50 | = | 85000.0 | nM | 4.07 | Antiviral activity against RSV A2 in VERO76 cells assessed as reduction of plaqu... | 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