Compound Detail
CHEMBL4641591
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N#CCCCn1c(Cn2c(=O)n(-c3ccc(OC(F)(F)F)cc3)c3ccncc32)cc2cc(Cl)ccc21
Basic Information
| ChEMBL ID | CHEMBL4641591 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQNUZCQCUCLMET-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
525.9
MW (Da)
6.05
ALogP
7
HBA
0
HBD
77.8
PSA (Ų)
0.24
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fusion glycoprotein F0 CHEMBL2364165 | EC50 | 8.9 | 8.9 | 1.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fusion glycoprotein F0 | EC50 | = | 1.259 | nM | 8.9 | Inhibition of GFP-fused RSV 224 fusion protein infected in human HeLa cells asse... | 32407115 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32407115 | 10.1021/acs.jmedchem.0c00226 | Fusion glycoprotein F0 | 1 |
| 32407115 | 10.1021/acs.jmedchem.0c00226 | ADMET | 1 |
| 32407115 | 10.1021/acs.jmedchem.0c00226 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine