Compound Detail
CHEMBL4528752
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CCc1ccc(NS(C)(=O)=O)c(C(=O)N(C)[C@@H](CC)c2cc3nc(N4CC[C@H](N)C4)c(C)cn3n2)c1
Basic Information
| ChEMBL ID | CHEMBL4528752 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCPOISDLBJIGAF-AVRDEDQJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
513.7
MW (Da)
2.73
ALogP
8
HBA
2
HBD
125.9
PSA (Ų)
0.47
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Respiratory syncytial virus CHEMBL612679 | EC50 | 9.82 | 9.82 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Respiratory syncytial virus | EC50 | = | 0.15 | nM | 9.82 | Antiviral activity against Respiratory syncytial virus | 30411898 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30411898 | 10.1021/acs.jmedchem.8b01361 | Respiratory syncytial virus | 1 |
Data from ChEMBL 36 via Core Engine