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Compound Detail

CHEMBL4297497

SISUNATOVIR
🧪 Phase II
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🧪 Phase II
NCc1ccc2c(c1)nc(CN1C(=O)C3(CC3)c3ccc(F)cc31)n2CCCC(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4297497
Name SISUNATOVIR
Phase Phase II
Structure Type MOL
InChI Key JOPCJJSYRPUEDS-UHFFFAOYSA-N

Known Names

Pf-07923568 RV-521 Rv521 Sisunatovir
4
Targets
10
Activities
2
Assay Types
30
PK Parameters
16
Publications
4
Known Names
2
Indications
1
Mechanisms

Molecular Properties

446.4
MW (Da)
4.56
ALogP
4
HBA
1
HBD
64.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -vir
USAN Year 2021

Extended Properties

Molecular Formula C23H22F4N4O
MW 446.45
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.20

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Fusion glycoprotein F0 inhibitor INHIBITOR Fusion glycoprotein F0 ✓ ✓

Indications

Respiratory Syncytial Virus Infections Liver Diseases

Activity Summary

EC50 7 meas. best 10.0
IC50 3 meas. best 9.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 10.0 10.0 0.1 1
Human orthopneumovirus
CHEMBL613127
 EC50 10.0 9.26 0.1 3
Fusion glycoprotein F0
CHEMBL3856166
 IC50 9.05 9.05 0.9 1
Unchecked
CHEMBL612545
 IC50 9.0 9.0 1.0 1
Respiratory syncytial virus
CHEMBL612679
 EC50 8.93 8.29 1.2 3
Human orthopneumovirus
CHEMBL613127
 IC50 8.85 8.85 1.4 1

Pharmacokinetic Data

Parameter Value Units Species
CL 47.9 mL.min-1.kg-1 Mus musculus
CL 164.0 mL.min-1.kg-1 Rattus norvegicus
CL 17.8 mL.min-1.kg-1 Canis lupus familiaris
CL 164.0 mL.min-1.kg-1 Rattus norvegicus
Cmax 166.2 nM Rattus norvegicus
Cmax 501.74 nM Mus musculus
Cmax 166.2 nM Rattus norvegicus
Cmax 1063.95 nM Rattus norvegicus
Cmax 184.57 nM Canis lupus familiaris
F 46.0 % Mus musculus
F 42.0 % Rattus norvegicus
F 63.0 % Canis lupus familiaris
F 102.0 % Rattus norvegicus
F 46.4 % Mus musculus
F 132.0 % Rattus norvegicus
F 44.2 % Canis lupus familiaris
Fu 0.52 - Rattus norvegicus
Fu 0.27 - Canis lupus familiaris
Fu 0.67 - Homo sapiens
T1/2 1.333 hr Rattus norvegicus
T1/2 8.867 hr Canis lupus familiaris
T1/2 0.5333 hr Homo sapiens
T1/2 1.55 hr Rattus norvegicus
T1/2 9.667 hr Canis lupus familiaris
T1/2 3.517 hr Homo sapiens
T1/2 1.8 hr Rattus norvegicus
T1/2 4.2 hr Mus musculus
T1/2 12.3 hr Canis lupus familiaris
T1/2 9.9 hr Mus musculus
T1/2 9.9 hr Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human orthopneumovirus EC50 = 0.1 nM 10.0 Antiviral activity against Respiratory syncytial virus A plaque reduction assay 30411898
Unchecked EC50 = 0.1 nM 10.0 Antiviral activity against Respiratory syncytial virus B plaque reduction assay 30411898
Fusion glycoprotein F0 IC50 = 0.9 nM 9.05 Inhibition of Respiratory syncytial virus A2 fusion protein expressed in HEK293T... 33729773
Unchecked IC50 = 1.0 nM 9.0 Antiviral activity against Respiratory syncytial virus B by Plaque reduction ass... 33729773
Respiratory syncytial virus EC50 = 1.18 nM 8.93 Antiviral activity against Respiratory syncytial virus Memphis 37b infected in h... 33729773
Respiratory syncytial virus EC50 = 1.3 nM 8.89 Antiviral activity against Respiratory syncytial virus 30411898
Human orthopneumovirus EC50 = 1.3 nM 8.89 Antiviral activity against Respiratory syncytial virus A2 infected in African gr... 33729773
Human orthopneumovirus EC50 = 1.3 nM 8.89 Antiviral activity against Respiratory syncytial virus A2 infected in human Huh7... 33729773
Human orthopneumovirus IC50 = 1.4 nM 8.85 Antiviral activity against Respiratory syncytial virus A by Plaque reduction ass... 33729773
Respiratory syncytial virus EC50 = 88.98 nM 7.05 Antiviral activity against Respiratory syncytial virus Memphis 37b infected in h... 33729773

Literature References

PubMed DOI Target Context # Activities
33729773 10.1021/acs.jmedchem.0c01882 ADMET 47
33729773 10.1021/acs.jmedchem.0c01882 Human orthopneumovirus 12
33729773 10.1021/acs.jmedchem.0c01882 Unchecked 6
33729773 10.1021/acs.jmedchem.0c01882 Respiratory syncytial virus 5
30411898 10.1021/acs.jmedchem.8b01361 ADMET 3
- 10.6019/CHEMBL4651402 SARS-CoV-2 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
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
33729773 10.1021/acs.jmedchem.0c01882 HepG2 1
33729773 10.1021/acs.jmedchem.0c01882 HEp-2 1
33729773 10.1021/acs.jmedchem.0c01882 Salmonella typhimurium 1
33729773 10.1021/acs.jmedchem.0c01882 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine