Compound Detail

CHEMBL3410450

PRESATOVIR

🧪 Phase II

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🧪 Phase II

Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)cc2nc1N1CC[C@H](N)C1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3410450
Name	PRESATOVIR
Phase	Phase II
Structure Type	MOL
InChI Key	GOFXWTVKPWJNGD-UWJYYQICSA-N

Known Names

GS-5806 Presatovir

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Mechanisms

Molecular Properties

532.1

MW (Da)

2.97

ALogP

HBA

HBD

125.9

PSA (Å²)

0.52

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Single Enantiomer

Flags

Natural Product

USAN Stem	-vir
USAN Year	2015

Extended Properties

Molecular Formula	C24H30ClN7O3S
MW	532.07
Aromatic Rings	3
Heavy Atoms	36
NP-Likeness	-1.65

Mechanism of Action

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

Indications

Respiratory Syncytial Virus Infections

Activity Summary

EC50 8 meas. best 10.0

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Fusion glycoprotein F0 CHEMBL2364165	EC50	10.0	10.0	0.1	1
Respiratory syncytial virus CHEMBL612679	EC50	10.0	9.5425	0.1	4
Human orthopneumovirus CHEMBL613127	EC50	9.37	9.37	0.4	2
Fusion glycoprotein F0 CHEMBL3856166	EC50	5.92	5.92	1193.0	1

Pharmacokinetic Data

Parameter	Value	Units	Species
CL	32.17	mL.min-1.kg-1	Rattus norvegicus
CL	3.833	mL.min-1.kg-1	Canis lupus familiaris
CL	6.0	mL.min-1.kg-1	Macaca fascicularis
F	46.0	%	Rattus norvegicus
F	130.0	%	Canis lupus familiaris
F	60.0	%	Macaca fascicularis
Fu	0.044	-	Homo sapiens
T1/2	3.4	hr	Rattus norvegicus
T1/2	8.9	hr	Canis lupus familiaris
T1/2	10.0	hr	Macaca fascicularis
T1/2	35.0	hr	Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Respiratory syncytial virus	EC50	=	0.1	nM	10.0	Antiviral activity against Respiratory syncytial virus clinical isolates	25574686
Fusion glycoprotein F0	EC50	=	0.1	nM	10.0	Inhibition of Human respiratory syncytial virus A2 Fusion protein expressed in H...	32550994
Respiratory syncytial virus	EC50	=	0.37	nM	9.43	Antiviral activity against Respiratory syncytial virus A2 infected in human Hep2...	25574686
Respiratory syncytial virus	EC50	=	0.43	nM	9.37	Antiviral activity against Respiratory syncytial virus type A	25574686
Respiratory syncytial virus	EC50	=	0.43	nM	9.37	Antiviral activity against Respiratory syncytial virus type B	25574686
Human orthopneumovirus	EC50	=	0.43	nM	9.37	Antiviral activity against RSV type A infected in Hep2 cells for 3 days by TMB-E...	30411898
Human orthopneumovirus	EC50	=	0.43	nM	9.37	Antiviral activity against RSV type B infected in Hep2 cells for 3 days by TMB-E...	30411898
Fusion glycoprotein F0	EC50	=	1193.0	nM	5.92	Inhibition of Human respiratory syncytial virus Fusion protein D486N mutant expr...	32550994

Literature References

PubMed	DOI	Target Context	# Activities
25574686	10.1021/jm5017768	Respiratory syncytial virus	11
25574686	10.1021/jm5017768	Rattus norvegicus	6
25574686	10.1021/jm5017768	ADMET	5
25574686	10.1021/jm5017768	Canis familiaris	4
25574686	10.1021/jm5017768	Cynomolgus monkey	4
25574686	10.1021/jm5017768	Plasma	3
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2
-	10.6019/CHEMBL4651402	SARS-CoV-2	2
32550994	10.1021/acsmedchemlett.0c00008	Fusion glycoprotein F0	2
-	10.6019/CHEMBL4495565	SARS-CoV-2	2
30411898	10.1021/acs.jmedchem.8b01361	Human orthopneumovirus	2
25574686	10.1021/jm5017768	Homo sapiens	1
-	10.6019/CHEMBL4495564	Replicase polyprotein 1ab	1
-	10.21203/rs.3.rs-23951/v1	SARS-CoV-2	1
25574686	10.1021/jm5017768	Lung	1
25574686	10.1021/jm5017768	MT4	1
25574686	10.1021/jm5017768	No relevant target	1

Data from ChEMBL 36 via Core Engine