Compound Detail
CHEMBL4293427
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Cc1cnc(N2CC3(CCOCC3)C2)c(C(=O)Nc2ccc(C(=O)N3c4ccccc4-c4sc(C(=O)Nc5c(F)cccc5F)cc4C[C@H]3C)cc2)c1
Basic Information
| ChEMBL ID | CHEMBL4293427 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MLKAQGBNVKKPBQ-RUZDIDTESA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
733.8
MW (Da)
8.11
ALogP
7
HBA
2
HBD
103.9
PSA (Ų)
0.18
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Respiratory syncytial virus CHEMBL612679 | IC50 | 9.74 | 8.89 | 0.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Respiratory syncytial virus | IC50 | = | 0.18 | nM | 9.74 | Antiviral activity against RSV A2 infected in human HEp2 cells assessed as prote... | 30108949 |
| Respiratory syncytial virus | IC50 | = | 9.2 | nM | 8.04 | Antiviral activity against RSV B Washington infected in human HEp2 cells assesse... | 30108949 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30108949 | 10.1039/C8MD00033F | Respiratory syncytial virus | 2 |
Data from ChEMBL 36 via Core Engine