PIMODIVIR HYDROCHLORIDE ANHYDROUS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H19F2N5O2.ClH
Molecular Weight	435.855
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PIMODIVIR HYDROCHLORIDE ANHYDROUS

Structure Search

SMILES

Cl.OC(=O)[C@H]1C2CCC(CC2)[C@@H]1NC3=NC(=NC=C3F)C4=CNC5=NC=C(F)C=C45

InChI

InChIKey=YQUYIYBWGAQOAX-PTZRGWEZSA-N

InChI=1S/C20H19F2N5O2.ClH/c21-11-5-12-13(7-24-17(12)23-6-11)18-25-8-14(22)19(27-18)26-16-10-3-1-9(2-4-10)15(16)20(28)29;/h5-10,15-16H,1-4H2,(H,23,24)(H,28,29)(H,25,26,27);1H/t9?,10?,15-,16-;/m0./s1

HIDE SMILES / InChI

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

Molecular Formula	C20H19F2N5O2
Molecular Weight	399.394
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/mesh/2011685 | https://www.ncbi.nlm.nih.gov/pubmed/27451344 | https://www.ncbi.nlm.nih.gov/pubmed/29244026

JNJ-872 is an inhibitor of influenza virus replication that offers a potential for the treatment of pandemic and seasonal influenza.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Potency
Polymerase basic protein 2 3 Target ID: P03427 Gene ID: NA Gene Symbol: PB2 Target Organism: Influenza A virus (strain A/Wilson-Smith/1933 H1N1) (Influenza A virus\|\|\|(strain A/WS/1933 H1N1)) Sources: https://www.ncbi.nlm.nih.gov/pubmed/27451344	Interacts 323
Influenza A virus (A/PR/8/34(H1N1)) 5 Target ID: CHEMBL612610 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25019388	Inhibitor 8297	0.32 nM [EC50]
Glycogen synthase kinase-3 beta 51 Target ID: CHEMBL262 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25019388	Inhibitor 8297	1.6 µM [Ki]

PubMed

Title	Date	PubMed
Discovery of a novel, first-in-class, orally bioavailable azaindole inhibitor (VX-787) of influenza PB2.	2014 Aug 14	25019388
JNJ872 inhibits influenza A virus replication without altering cellular antiviral responses.	2016 Sep	27451344
Novel 2-Substituted 7-Azaindole and 7-Azaindazole Analogues as Potential Antiviral Agents for the Treatment of Influenza.	2017 Feb 9	28197323
Pimodivir treatment in adult volunteers experimentally inoculated with live influenza virus: a Phase IIa, randomized, double-blind, placebo-controlled study.	2018	29244026
Single- and multiple-dose pharmacokinetics and safety of pimodivir, a novel, non-nucleoside polymerase basic protein 2 subunit inhibitor of the influenza A virus polymerase complex, and interaction with oseltamivir: a Phase 1 open-label study in healthy volunteers.	2018 Nov	30098042
Phase 2b Study of Pimodivir (JNJ-63623872) as Monotherapy or in Combination With Oseltamivir for Treatment of Acute Uncomplicated Seasonal Influenza A: TOPAZ Trial.	2019 Mar 15	30428049

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:53:56 GMT 2023` Edited by `admin` on `Sat Dec 16 11:53:56 GMT 2023`
Record UNII	D24NV4KY8V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PIMODIVIR HYDROCHLORIDE ANHYDROUS

Common Name

English

BICYCLO(2.2.2)OCTANE-2-CARBOXYLIC ACID, 3-((5-FLUORO-2-(5-FLUORO-1H-PYRROLO(2,3-B)PYRIDIN-3-YL)-4-PYRIMIDINYL)AMINO)-, HYDROCHLORIDE (1:1), (2S,3S)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

121596617