Compound Detail
CHEMBL4641189
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Basic Information
| ChEMBL ID | CHEMBL4641189 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LFTDMBPFJHQLEH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
5
PK Parameters
3
Publications
0
Known Names
Molecular Properties
450.9
MW (Da)
4.32
ALogP
7
HBA
0
HBD
70.5
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fusion glycoprotein F0 CHEMBL2364165 | EC50 | 9.0 | 9.0 | 1.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 3370.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 23.33 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 3748.48 | nM | Rattus norvegicus |
| F | 46.0 | % | Rattus norvegicus |
| Fu | 0.3 | - | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fusion glycoprotein F0 | EC50 | = | 1.0 | nM | 9.0 | 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 | ADMET | 10 |
| 32407115 | 10.1021/acs.jmedchem.0c00226 | Fusion glycoprotein F0 | 1 |
| 32407115 | 10.1021/acs.jmedchem.0c00226 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine