Compound Detail
CHEMBL4873528
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4873528 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVEAUDWQMUVFLU-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
13
PK Parameters
5
Publications
0
Known Names
Molecular Properties
434.5
MW (Da)
3.69
ALogP
5
HBA
2
HBD
84.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.8
IC50 1 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human orthopneumovirus CHEMBL613127 | EC50 | 8.8 | 8.8 | 1.6 | 1 |
| Fusion glycoprotein F0 CHEMBL3856166 | IC50 | 8.59 | 8.59 | 2.6 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 82.7 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 110.01 | nM | Mus musculus |
| F | 4.4 | % | Rattus norvegicus |
| F | 4.4 | % | Mus musculus |
| Fu | - | - | Rattus norvegicus |
| Fu | - | - | Canis lupus familiaris |
| Fu | - | - | Homo sapiens |
| T1/2 | 2.45 | hr | Rattus norvegicus |
| T1/2 | 2.45 | hr | Canis lupus familiaris |
| T1/2 | 5.0 | hr | Homo sapiens |
| t1/2 | - | - | Mus musculus |
| T1/2 | 0.9 | hr | Mus musculus |
| Tmax | 0.1 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human orthopneumovirus | EC50 | = | 1.6 | nM | 8.8 | Antiviral activity against Respiratory syncytial virus A2 infected in human Huh7... | 33729773 |
| Fusion glycoprotein F0 | IC50 | = | 2.6 | nM | 8.59 | 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 | ADMET | 23 |
| 33729773 | 10.1021/acs.jmedchem.0c01882 | Fusion glycoprotein F0 | 1 |
| 33729773 | 10.1021/acs.jmedchem.0c01882 | No relevant target | 1 |
| 33729773 | 10.1021/acs.jmedchem.0c01882 | HepG2 | 1 |
| 33729773 | 10.1021/acs.jmedchem.0c01882 | Human orthopneumovirus | 1 |
Data from ChEMBL 36 via Core Engine