Compound Detail
CHEMBL4437054
RILEMATOVIR 🧪 Phase III
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🧪 Phase III
CS(=O)(=O)CCCn1c(Cn2c(=O)n(CC(F)(F)F)c3ccncc32)cc2cc(Cl)ccc21
Basic Information
| ChEMBL ID | CHEMBL4437054 |
| Name | RILEMATOVIR |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | GTQTUABHRCWVLL-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
8
PK Parameters
12
Publications
2
Known Names
3
Indications
1
Mechanisms
Molecular Properties
500.9
MW (Da)
3.85
ALogP
7
HBA
0
HBD
78.9
PSA (Ų)
0.39
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Fusion glycoprotein F0 inhibitor | INHIBITOR | Fusion glycoprotein F0 | ✓ | ✓ |
Indications
Infections Respiratory Syncytial Virus Infections Liver Diseases
Activity Summary
EC50 5 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 9.7 | 9.7 | 0.2 | 1 |
| Human orthopneumovirus CHEMBL613127 | EC50 | 9.7 | 9.7 | 0.2 | 1 |
| Respiratory syncytial virus CHEMBL612679 | EC50 | 9.34 | 9.34 | 0.5 | 2 |
| Fusion glycoprotein F0 CHEMBL2364165 | EC50 | 9.3 | 9.3 | 0.5 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 9.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 65.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 8.5 | mL.min-1.kg-1 | Canis lupus familiaris |
| F | 89.0 | % | Canis lupus familiaris |
| F | 42.0 | % | Rattus norvegicus |
| F | 89.0 | % | Canis lupus familiaris |
| Fu | 0.06 | - | Homo sapiens |
| T1/2 | 4.1 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human orthopneumovirus | EC50 | = | 0.2 | nM | 9.7 | Antiviral activity against RSV A infected in HeLa cells | 30411898 |
| Unchecked | EC50 | = | 0.2 | nM | 9.7 | Antiviral activity against RSV B infected in HeLa cells | 30411898 |
| Respiratory syncytial virus | EC50 | = | 0.46 | nM | 9.34 | Antiviral activity against recombinant RSV infected in HeLa cells assessed as re... | 30411898 |
| Respiratory syncytial virus | EC50 | = | 0.46 | nM | 9.34 | Antiviral activity against recombinant rgRSV224 infected in human HeLa cells ass... | 35477274 |
| Fusion glycoprotein F0 | EC50 | = | 0.5012 | nM | 9.3 | 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 | 9 |
| 32407115 | 10.1021/acs.jmedchem.0c00226 | Respiratory syncytial virus | 4 |
| 30411898 | 10.1021/acs.jmedchem.8b01361 | ADMET | 3 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 33895704 | 10.1016/j.bmc.2021.116157 | Respiratory syncytial virus | 2 |
| 30411898 | 10.1021/acs.jmedchem.8b01361 | Respiratory syncytial virus | 1 |
| 30411898 | 10.1021/acs.jmedchem.8b01361 | Human orthopneumovirus | 1 |
| 30411898 | 10.1021/acs.jmedchem.8b01361 | Unchecked | 1 |
| 32407115 | 10.1021/acs.jmedchem.0c00226 | Fusion glycoprotein F0 | 1 |
| 32407115 | 10.1021/acs.jmedchem.0c00226 | HeLa | 1 |
| 32407115 | 10.1021/acs.jmedchem.0c00226 | Cytochrome P450 3A4 | 1 |
| 35477274 | 10.1021/acs.jmedchem.2c00444 | Respiratory syncytial virus | 1 |
Data from ChEMBL 36 via Core Engine