VESATOLIMOD HYDROCHLORIDE

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H30N6O2.ClH
Molecular Weight	446.974
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.CCCCOC1=NC2=C(NC(=O)CN2CC3=CC=CC(CN4CCCC4)=C3)C(N)=N1

InChI

InChIKey=SOSJWFFUCUGLER-UHFFFAOYSA-N

InChI=1S/C22H30N6O2.ClH/c1-2-3-11-30-22-25-20(23)19-21(26-22)28(15-18(29)24-19)14-17-8-6-7-16(12-17)13-27-9-4-5-10-27;/h6-8,12H,2-5,9-11,13-15H2,1H3,(H,24,29)(H2,23,25,26);1H

HIDE SMILES / InChI

Molecular Formula	C22H30N6O2
Molecular Weight	410.5126
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/?term=27799218

Vesatolimod, also known as GS-9620, is being developed in clinical studies for the treatment of chronic hepatitis B viral (HBV) infection, with the goal of inducing a liver-targeted antiviral effect without inducing the adverse effects associated with current systemic interferon-α (IFN-α) therapies. It is demonstrate interferon-stimulated gene induction without detectable serum interferon at low oral doses. GS-9620 is a potent and oral agonist of Toll-like receptor-7, a pattern-recognition receptor whose activation results in innate and adaptive immune stimulation

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Toll-like receptor 7 13 Target ID: CHEMBL5936 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23961878	Agonist 2752

Conditions

Condition	Modality	Targets	Highest Phase	Product
Chronic hepatitis B 16 Sources: https://clinicaltrials.gov/ct2/show/NCT02166047	Primary		Phase II 1147	Unknown Approved Use Unknown

C_max

Value	Dose	Co-administered	Analyte	Population
3780.4 pg/mL EXPERIMENT https://www.ncbi.nlm.nih.gov/pubmed/25105516	4 mg single, oral dose: 4 mg route of administration: Oral experiment type: SINGLE co-administered:		VESATOLIMOD plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
810.1 pg/mL EXPERIMENT https://www.ncbi.nlm.nih.gov/pubmed/25105516	2 mg 1 times / week multiple, oral dose: 2 mg route of administration: Oral experiment type: MULTIPLE co-administered:		VESATOLIMOD plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN

AUC

Value	Dose	Co-administered	Analyte	Population
31096.5 pg × h/mL EXPERIMENT https://www.ncbi.nlm.nih.gov/pubmed/25105516	4 mg single, oral dose: 4 mg route of administration: Oral experiment type: SINGLE co-administered:		VESATOLIMOD plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
10703.3 pg × h/mL EXPERIMENT https://www.ncbi.nlm.nih.gov/pubmed/25105516	2 mg 1 times / week multiple, oral dose: 2 mg route of administration: Oral experiment type: MULTIPLE co-administered:		VESATOLIMOD plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN

T_1/2

Value	Dose	Co-administered	Analyte	Population
24.63 h EXPERIMENT https://www.ncbi.nlm.nih.gov/pubmed/25105516	4 mg single, oral dose: 4 mg route of administration: Oral experiment type: SINGLE co-administered:		VESATOLIMOD plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
17.7 h EXPERIMENT https://www.ncbi.nlm.nih.gov/pubmed/25105516	2 mg 1 times / week multiple, oral dose: 2 mg route of administration: Oral experiment type: MULTIPLE co-administered:		VESATOLIMOD plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN

Overview

CYP3A4	CYP2C9	CYP2D6	hERG
substrate 1946 inhibitor 2252	inhibitor 2438	inhibitor 2507

OverviewOther

Other Inhibitor	Other Substrate	Other Inducer
	HLM 34 P-gp 2052

Drug as perpetrator

Target	Modality	Activity
CYP3A4 2633	inhibitor 4027 Sources: https://pubchem.ncbi.nlm.nih.gov/bioassay/1645841#sid=440681462	inconclusive [IC50 15.0916 uM]
CYP2C9 2497	inhibitor 4027 Sources: https://pubchem.ncbi.nlm.nih.gov/bioassay/1645842#sid=440681462	no
CYP2D6 2546	inhibitor 4027 Sources: https://pubchem.ncbi.nlm.nih.gov/bioassay/1645840#sid=440681462	yes [IC50 3.3786 uM]

Drug as victim

Target	Modality	Activity
P-gp 2052	substrate 4014 Sources: https://pubchem.ncbi.nlm.nih.gov/bioassay/1346987#sid=363680873	no
CYP3A4 1946	substrate 4014 Sources: https://pubmed.ncbi.nlm.nih.gov/25733157/	yes
HLM 34	substrate 4014 Sources: https://pubmed.ncbi.nlm.nih.gov/30129284/	yes

Sourcing

Vendor/Aggregator	ID	URL
001 Chemical	DY425426	https://www.001chemical.com/chem/search?q=DY425426
1PlusChem LLC	1P003BAN	https://www.1pchem.com/search?query=1P003BAN
A2B Chem	AB53807	http://a2bchem.com/prod/AB53807
AChemBlock	I-9835	http://www.achemblock.com/catalogsearch/result/?q=I-9835
Angene	AGN-PC-0WCRIS	http://www.angenechemical.com/productshow/AGN-PC-0WCRIS.html
AOBIOUS INC	AOB87720	http://aobious.com/aobious/search?search_query=AOB87720
ApexBio Technology	A3444	https://www.apexbt.com/catalogsearch/result/?q=A3444
AstaTech	42241	http://astatechinc.com/CPSResult.php?CRNO=42241
BLD Pharm	BD254187	http://www.bldpharm.com/search/Search.html?keyword=BD254187
Cayman Chemical	19628	http://www.caymanchem.com/app/template/Product.vm/catalog/19628
Chem Scene	CS-1352	http://www.chemscene.com/goproductList/searchProductList?productObj=CS-1352
ChemShuttle	113838	https://www.chemshuttle.com/catalogsearch/result/?q=113838
Combi-Blocks	QJ-6609	http://www.combi-blocks.com/cgi-bin/find.cgi?QJ-6609
Debye Scientific	DA-33595	https://www.debyesci.com/index.php?id=product&ext[cno]=DA-33595
eMolecules	260885599	https://orderbb.emolecules.com/search/#?query=260885599
eMolecules	49383435	https://orderbb.emolecules.com/search/#?query=49383435
eNovation Chemicals	D372355	https://www.enovationchem.com/Products.asp?SEARCHTEXT=D372355&searchbtn.x=0&searchbtn.y=0
Excenen	EX-A2065	http://www.excenen.com/searchresultlist.php?id=EX-A2065
KeyOrganics	AS-74316	http://www.keyorganicsinc.com/bionet/catalogsearch/result?q=AS-74316
Matrix Scientific	147898	http://www.matrixscientific.com/147898.html
mcule	MCULE-1046276887	https://mcule.com/MCULE-1046276887/
MedChem Express	HY-15601	https://www.medchemexpress.com/search.html?q=HY-15601&ft=&fa=&fp=
Molcore	MC425426	http://www.molcore.com/CatMC425426.html
Molnova	M17205	https://www.molnova.com/en/serch-list.html?keywords=M17205
MolPort	MolPort-038-387-808	https://www.molport.com/shop/molecule-link/MolPort-038-387-808
MuseChem	I000892	https://www.musechem.com/product/I000892.html
Selleck Chemicals	S7221	http://www.selleckchem.com/search.html?searchDTO.searchParam=S7221
ShangHai Biochempartner	BCP08305	http://www.biochempartner.com/search_BCP08305
Synthonix	11127	https://synthonix.com/catalogsearch/result/?q=11127
TargetMol	T6846	https://www.targetmol.com/search?keyword=T6846

PubMed

Title	Date	PubMed
TLR7 Agonist GS-9620 Is a Potent Inhibitor of Acute HIV-1 Infection in Human Peripheral Blood Mononuclear Cells.	2017-01	27799218
GS-9620, an oral agonist of Toll-like receptor-7, induces prolonged suppression of hepatitis B virus in chronically infected chimpanzees.	2013-06	23415804

Patents

Sample Use Guides

In Vivo Use Guide

1, 2, or 4 mg tablets administered orally every 7 days

Route of Administration: Oral

In Vitro Use Guide

The antiviral activity of GS-9620 was assessed in isolated macrophages, CD4+T cells and in total peripheral blood mononuclear cells (PBMCs) following infections with a replication component HIV-1BaL. In uninfected cultures, the viability of each cell type remained unchanged up to 10 μM GS-9620, the maximum concentration tested. GS-9620 was inactive against HIV in isolated CD4+ T cells and macrophages up to the highest concentration tested (10 µM), but did show dose-dependent inhibition of HIV-1 replication in complete PBMCs following infection with either HIV-1BaL (EC50 = 536 nM) or HIV-1VSVg (EC50 = 953 nM). Although GS-9620-mediated antiretroviral activity varied significantly between individual donors, its antiretroviral potency in PBMCs was enhanced by approximately 35-fold when GS-9620 was added 48 hours prior to infection with HIV-1VSVg (EC50 = 27 nM).

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:07:56 GMT 2025` Edited by `admin` on `Mon Mar 31 22:07:56 GMT 2025`
Record UNII	4PXC90RF2J
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

6(5H)-PTERIDINONE, 4-AMINO-2-BUTOXY-7,8-DIHYDRO-8-((3-(1-PYRROLIDINYLMETHYL)PHENYL)METHYL)-, HYDROCHLORIDE (1:1)

Preferred Name

English

VESATOLIMOD HYDROCHLORIDE

Common Name

English

Code System Code Type Description

CAS

1228587-28-7

Created by admin on Mon Mar 31 22:07:56 GMT 2025 , Edited by admin on Mon Mar 31 22:07:56 GMT 2025

NON-SPECIFIC STOICHIOMETRY

FDA UNII

4PXC90RF2J

Created by admin on Mon Mar 31 22:07:56 GMT 2025 , Edited by admin on Mon Mar 31 22:07:56 GMT 2025

PRIMARY

PUBCHEM

91864524

Created by admin on Mon Mar 31 22:07:56 GMT 2025 , Edited by admin on Mon Mar 31 22:07:56 GMT 2025

PRIMARY

CAS

1454806-18-8

Created by admin on Mon Mar 31 22:07:56 GMT 2025 , Edited by admin on Mon Mar 31 22:07:56 GMT 2025

PRIMARY

Details

SMILES

InChI

DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/?term=27799218

Originator

Approval Year

Targets

Conditions

Approved Use

Cmax

AUC

T1/2

Overview

OverviewOther

Drug as perpetrator​

Drug as victim

Sourcing

PubMed

Patents

Sample Use Guides

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/?term=27799218

C_max

T_1/2

Drug as perpetrator