Compound Detail
CHEMBL4639558
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Basic Information
| ChEMBL ID | CHEMBL4639558 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHUYKXVKJOPRJH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
413.6
MW (Da)
4.27
ALogP
5
HBA
0
HBD
36.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human orthopneumovirus CHEMBL613127 | EC50 | 4.61 | 4.485 | 24800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human orthopneumovirus | EC50 | = | 24800.0 | nM | 4.61 | Antiviral activity against Respiratory syncytial virus B infected in Hep2 cells ... | 32143992 |
| Human orthopneumovirus | EC50 | = | 44100.0 | nM | 4.36 | Antiviral activity against Respiratory syncytial virus A strain Long infected in... | 32143992 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32143992 | 10.1016/j.bmc.2020.115401 | Human orthopneumovirus | 2 |
| 32143992 | 10.1016/j.bmc.2020.115401 | HEp-2 | 1 |
Data from ChEMBL 36 via Core Engine