Compound Detail
CHEMBL4866951
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N=C(N)NCc1ccc2c(c1)nc(CN1C(=O)C3(CC3)c3ccc(F)cc31)n2CCCC(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL4866951 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OLKLYCUIXLWVDJ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
488.5
MW (Da)
4.08
ALogP
4
HBA
3
HBD
100.0
PSA (Ų)
0.27
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.68
IC50 1 meas. best 6.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human orthopneumovirus CHEMBL613127 | EC50 | 7.68 | 7.68 | 21.1 | 1 |
| Fusion glycoprotein F0 CHEMBL3856166 | IC50 | 6.74 | 6.74 | 183.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human orthopneumovirus | EC50 | = | 21.1 | nM | 7.68 | Antiviral activity against Respiratory syncytial virus A2 infected in human Hep2... | 33729773 |
| Fusion glycoprotein F0 | IC50 | = | 183.0 | nM | 6.74 | Inhibition of Respiratory syncytial virus A2 fusion protein expressed in HEK293T... | 33729773 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33729773 | 10.1021/acs.jmedchem.0c01882 | Fusion glycoprotein F0 | 1 |
| 33729773 | 10.1021/acs.jmedchem.0c01882 | Human orthopneumovirus | 1 |
| 33729773 | 10.1021/acs.jmedchem.0c01882 | HEp-2 | 1 |
Data from ChEMBL 36 via Core Engine