PIMODIVIR

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H19F2N5O2
Molecular Weight	399.394
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PIMODIVIR

Structure Search

SMILES

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

InChI

InChIKey=JGPXDNKSIXAZEQ-SBBZOCNPSA-N

InChI=1S/C20H19F2N5O2/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)/t9?,10?,15-,16-/m0/s1

HIDE SMILES / InChI

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:41:58 UTC 2023` Edited by `admin` on `Fri Dec 15 16:41:58 UTC 2023`
Record UNII	DFC121MXC3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PIMODIVIR

Official Name

English

JNJ-63623872-ZCD

Code

English

JNJ872

Code

English

VX-787 ANHYDROUS BASE

Common Name

English

pimodivir [INN]

Common Name

English

JNJ-63623872

Code

English

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

Systematic Name

English

Pimodivir [WHO-DD]

Common Name

English

VX-787

Code

English

JNJ-872

Code

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)-, (2S,3S)-

Systematic Name

English

JNJ63623872

Code

English

(2S,3S)-3-(5-FLUORO-2-(5-FLUORO-1H-PYRROLO(2,3-B)PYRIDIN-3-YL)PYRIMIDIN-4-YLAMINO)BICYCLO(2.2.2)OCTANE-2-CARBOXYLIC ACID

Systematic Name

English

PIMODIVIR [USAN]

Common Name

English

Code System Code Type Description

FDA UNII

DFC121MXC3

Created by admin on Fri Dec 15 16:41:58 UTC 2023 , Edited by admin on Fri Dec 15 16:41:58 UTC 2023

PRIMARY

NCI_THESAURUS

C158086

Created by admin on Fri Dec 15 16:41:58 UTC 2023 , Edited by admin on Fri Dec 15 16:41:58 UTC 2023

PRIMARY

SMS_ID

100000174647

Created by admin on Fri Dec 15 16:41:58 UTC 2023 , Edited by admin on Fri Dec 15 16:41:58 UTC 2023

PRIMARY

WIKIPEDIA

Pimodivir

Created by admin on Fri Dec 15 16:41:58 UTC 2023 , Edited by admin on Fri Dec 15 16:41:58 UTC 2023

PRIMARY

NCI_THESAURUS

C170320

Created by admin on Fri Dec 15 16:41:58 UTC 2023 , Edited by admin on Fri Dec 15 16:41:58 UTC 2023

ALTERNATIVE

INN

10321

Created by admin on Fri Dec 15 16:41:58 UTC 2023 , Edited by admin on Fri Dec 15 16:41:58 UTC 2023

PRIMARY

PUBCHEM

67286591

Created by admin on Fri Dec 15 16:41:58 UTC 2023 , Edited by admin on Fri Dec 15 16:41:58 UTC 2023

PRIMARY

USAN

EF-35

Created by admin on Fri Dec 15 16:41:58 UTC 2023 , Edited by admin on Fri Dec 15 16:41:58 UTC 2023

PRIMARY

DRUG BANK

DB14974

Created by admin on Fri Dec 15 16:41:58 UTC 2023 , Edited by admin on Fri Dec 15 16:41:58 UTC 2023

PRIMARY

EPA CompTox

DTXSID801028095

Created by admin on Fri Dec 15 16:41:58 UTC 2023 , Edited by admin on Fri Dec 15 16:41:58 UTC 2023

PRIMARY

CAS

1629869-44-8

Created by admin on Fri Dec 15 16:41:58 UTC 2023 , Edited by admin on Fri Dec 15 16:41:58 UTC 2023

PRIMARY

Related Record Type Details

A256039515

PIMODIVIR HYDROCHLORIDE

SALT/SOLVATE -> PARENT

Amount:


					D24NV4KY8V

PIMODIVIR HYDROCHLORIDE ANHYDROUS

SALT/SOLVATE -> PARENT

Amount:


					R9HH0NDE2E

INFLUENZA A VIRUS WHOLE

TARGET ORGANISM->INHIBITOR

Amount:

Related Record Type Details


					DFC121MXC3

PIMODIVIR

ACTIVE MOIETY

Comments:

Originator: Vertex Pharmaceuticals; Developer: Janssen Pharmaceuticals, Vertex Pharmaceuticals; Class: Antiviral; Mechanism of Action: Viral protein inhibitor; Orphan Drug Status: No; On Fast track: No; New Molecular Entity: Yes; Highest Development Phase: Phase II for Influenza A virus infections; Most Recent Events: 01 Jun 2016 Janssen Research and Development completes a pharmacokinetics phase I trial in Healthy volunteers in USA and Belgium (PO) (NCT02652650), 01 Apr 2016 Janssen Research and Development completes a bioavailability phase I trial in Healthy volunteers in Belgium (PO) (NCT02659735), 01 Apr 2016 Janssen Research & Development completes a phase I trial in Healthy volunteers in Belgium (NCT02658825)

Amount: