Compound Detail
CHEMBL4872095
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Basic Information
| ChEMBL ID | CHEMBL4872095 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWHITVAUIBSDEK-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
3
PK Parameters
5
Publications
0
Known Names
Molecular Properties
406.5
MW (Da)
4.26
ALogP
4
HBA
1
HBD
64.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.38
IC50 1 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fusion glycoprotein F0 CHEMBL3856166 | IC50 | 9.15 | 9.15 | 0.7 | 1 |
| Human orthopneumovirus CHEMBL613127 | EC50 | 8.38 | 8.38 | 4.2 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.19 | - | Rattus norvegicus |
| Fu | 0.15 | - | Canis lupus familiaris |
| Fu | 0.11 | - | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fusion glycoprotein F0 | IC50 | = | 0.7 | nM | 9.15 | Inhibition of Respiratory syncytial virus A2 fusion protein expressed in HEK293T... | 33729773 |
| Human orthopneumovirus | EC50 | = | 4.2 | nM | 8.38 | Antiviral activity against Respiratory syncytial virus A2 infected in African gr... | 33729773 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33729773 | 10.1021/acs.jmedchem.0c01882 | ADMET | 8 |
| 33729773 | 10.1021/acs.jmedchem.0c01882 | Human orthopneumovirus | 1 |
| 33729773 | 10.1021/acs.jmedchem.0c01882 | Vero | 1 |
| 33729773 | 10.1021/acs.jmedchem.0c01882 | Fusion glycoprotein F0 | 1 |
| 33729773 | 10.1021/acs.jmedchem.0c01882 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine