Compound Detail
CHEMBL4459588
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Basic Information
| ChEMBL ID | CHEMBL4459588 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMCUWQHCTSCBAE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
410.9
MW (Da)
3.96
ALogP
6
HBA
1
HBD
65.0
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fusion glycoprotein F0 CHEMBL2364165 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
| Respiratory syncytial virus CHEMBL612679 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Respiratory syncytial virus | EC50 | = | 2.0 | nM | 8.7 | Antiviral activity against recombinant RSV infected in HeLa cells assessed as re... | 30411898 |
| Fusion glycoprotein F0 | EC50 | = | 1.995 | nM | 8.7 | Inhibition of GFP-fused RSV 224 fusion protein infected in human HeLa cells asse... | 32407115 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30411898 | 10.1021/acs.jmedchem.8b01361 | Respiratory syncytial virus | 1 |
| 32407115 | 10.1021/acs.jmedchem.0c00226 | Fusion glycoprotein F0 | 1 |
| 32407115 | 10.1021/acs.jmedchem.0c00226 | HeLa | 1 |
| 32407115 | 10.1021/acs.jmedchem.0c00226 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine