Compound Detail
CHEMBL4172317
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Basic Information
| ChEMBL ID | CHEMBL4172317 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONOKYKSBUJAQHT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
9
PK Parameters
5
Publications
0
Known Names
Molecular Properties
447.9
MW (Da)
3.05
ALogP
8
HBA
1
HBD
102.9
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fusion glycoprotein F0 CHEMBL2364165 | EC50 | 8.1 | 8.1 | 7.9 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 701.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 546.0 | ng.hr.mL-1 | Mus musculus |
| CL | 61.1 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 1995.76 | nM | Mus musculus |
| Cmax | 723.3 | nM | Mus musculus |
| F | 32.5 | % | Mus musculus |
| T1/2 | 0.47 | hr | Mus musculus |
| T1/2 | 1.98 | hr | Mus musculus |
| Tmax | 0.25 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fusion glycoprotein F0 | EC50 | = | 7.9 | nM | 8.1 | Inhibition of Respiratory syncytial virus Long fusion glycoprotein infected in H... | 28772235 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28772235 | 10.1016/j.ejmech.2017.07.032 | Mus musculus | 10 |
| 28772235 | 10.1016/j.ejmech.2017.07.032 | ADMET | 3 |
| 28772235 | 10.1016/j.ejmech.2017.07.032 | Fusion glycoprotein F0 | 2 |
| 28772235 | 10.1016/j.ejmech.2017.07.032 | No relevant target | 2 |
| 28772235 | 10.1016/j.ejmech.2017.07.032 | HEp-2 | 1 |
Data from ChEMBL 36 via Core Engine