Compound Detail
CHEMBL418539
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Basic Information
| ChEMBL ID | CHEMBL418539 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VEGAMJMSTUMLLV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
374.5
MW (Da)
4.74
ALogP
5
HBA
0
HBD
44.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Respiratory syncytial virus CHEMBL612679 | EC50 | 8.4 | 8.4 | 4.0 | 1 |
| HEp-2 CHEMBL614735 | EC50 | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEp-2 | EC50 | = | 4.0 | nM | 8.4 | Antiviral activity against respiratory syncytial virus in HEp-2 human lung epith... | 14980651 |
| Respiratory syncytial virus | EC50 | = | 4.0 | nM | 8.4 | Antiviral activity against RSV long A with F1 protein K394R mutation in HEp2 cel... | 17576060 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14980651 | 10.1016/j.bmcl.2003.12.072 | HEp-2 | 2 |
| 17576060 | 10.1016/j.bmcl.2007.05.102 | ADMET | 2 |
| 14980651 | 10.1016/j.bmcl.2003.12.072 | ADMET | 1 |
| 17576060 | 10.1016/j.bmcl.2007.05.102 | Respiratory syncytial virus | 1 |
Data from ChEMBL 36 via Core Engine