PEMETREXED

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H21N5O6
Molecular Weight	427.4106
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PEMETREXED

Structure Search

SMILES

NC1=NC2=C(C(CCC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=CN2)C(=O)N1

InChI

InChIKey=WBXPDJSOTKVWSJ-ZDUSSCGKSA-N

InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H21N5O6
Molecular Weight	427.4106
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:47:00 UTC 2023` Edited by `admin` on `Fri Dec 15 15:47:00 UTC 2023`
Record UNII	04Q9AIZ7NO
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

PEMETREXED

Official Name

English

pemetrexed [INN]

Common Name

English

PEMFEXY

Brand Name

English

N-(P-(2-(2-AMINO-4,7-DIHYDRO-4-OXO-1H-PYRROLO(2,3-D)PYRIMIDIN-5-YL)ETHYL)BENZOYL)-L-GLUTAMATE

Systematic Name

English

PEMETREXED [HSDB]

Common Name

English

L-GLUTAMIC ACID, N-(4-(2-(2-AMINO-4,7-DIHYDRO-4-OXO-3H-PYRROLO(2,3-D)PYRIMIDIN-5-YL)ETHYL)BENZOYL)-

Systematic Name

English

N-(4-(2-(2-AMINO-4,7-DIHYDRO-4-OXO-1H-PYRROLO(2,3-D)PYRIMIDIN-5-YL)ETHYL)BENZOYL)-L-GLUTAMIC ACID

Systematic Name

English

LY-231514

Code

English

PEMETREXED [EMA EPAR]

Common Name

English

LY231514

Code

English

PEMETREXED [ORANGE BOOK]

Common Name

English

Pemetrexed [WHO-DD]

Common Name

English

PEMETREXED [MI]

Common Name

English

PEMETREXED [VANDF]

Common Name

English

NSC-698037

Code

English

Classification Tree Code System Code

EMA ASSESSMENT REPORTS

PEMETREXED LILLY (AUTHORIZED: CARCINOMA, NON-SMALL-CELL LUNG, MESOTHELIOMA)

Created by admin on Fri Dec 15 15:47:00 UTC 2023 , Edited by admin on Fri Dec 15 15:47:00 UTC 2023

EMA ASSESSMENT REPORTS

ALIMTA (AUTHORIZED: CARCINOMA, NON-SMALL-CELL LUNG, MESOTHELIOMA)

Created by admin on Fri Dec 15 15:47:00 UTC 2023 , Edited by admin on Fri Dec 15 15:47:00 UTC 2023

WHO-ATC

L01BA04

Created by admin on Fri Dec 15 15:47:00 UTC 2023 , Edited by admin on Fri Dec 15 15:47:00 UTC 2023

NDF-RT

N0000000111

Created by admin on Fri Dec 15 15:47:00 UTC 2023 , Edited by admin on Fri Dec 15 15:47:00 UTC 2023

LIVERTOX

NBK548117

Created by admin on Fri Dec 15 15:47:00 UTC 2023 , Edited by admin on Fri Dec 15 15:47:00 UTC 2023

NCI_THESAURUS

C2021

Created by admin on Fri Dec 15 15:47:00 UTC 2023 , Edited by admin on Fri Dec 15 15:47:00 UTC 2023

EMA ASSESSMENT REPORTS

PEMETREXED HOSPIRA (AUTHORIZED: CARCINOMA, NON-SMALL-CELL LUNG, MESOTHELIOMA)

Created by admin on Fri Dec 15 15:47:00 UTC 2023 , Edited by admin on Fri Dec 15 15:47:00 UTC 2023

NCI_THESAURUS

C511

Created by admin on Fri Dec 15 15:47:00 UTC 2023 , Edited by admin on Fri Dec 15 15:47:00 UTC 2023

NDF-RT

N0000175584

Created by admin on Fri Dec 15 15:47:00 UTC 2023 , Edited by admin on Fri Dec 15 15:47:00 UTC 2023

WHO-VATC

QL01BA04

Created by admin on Fri Dec 15 15:47:00 UTC 2023 , Edited by admin on Fri Dec 15 15:47:00 UTC 2023

EMA ASSESSMENT REPORTS

PEMETREXED MEDAC (AUTHORIZED: CARCINOMA, NON-SMALL-CELL LUNG, MESOTHELIOMA)

Created by admin on Fri Dec 15 15:47:00 UTC 2023 , Edited by admin on Fri Dec 15 15:47:00 UTC 2023

Code System Code Type Description

MERCK INDEX

m8456

Created by admin on Fri Dec 15 15:47:00 UTC 2023 , Edited by admin on Fri Dec 15 15:47:00 UTC 2023

PRIMARY

Merck Index

MESH

C085586

Created by admin on Fri Dec 15 15:47:00 UTC 2023 , Edited by admin on Fri Dec 15 15:47:00 UTC 2023

PRIMARY

DRUG CENTRAL

2073

Created by admin on Fri Dec 15 15:47:00 UTC 2023 , Edited by admin on Fri Dec 15 15:47:00 UTC 2023

PRIMARY

PUBCHEM

135410875

Created by admin on Fri Dec 15 15:47:00 UTC 2023 , Edited by admin on Fri Dec 15 15:47:00 UTC 2023

PRIMARY

FDA UNII

04Q9AIZ7NO

Created by admin on Fri Dec 15 15:47:00 UTC 2023 , Edited by admin on Fri Dec 15 15:47:00 UTC 2023

PRIMARY

LACTMED

Pemetrexed

Created by admin on Fri Dec 15 15:47:00 UTC 2023 , Edited by admin on Fri Dec 15 15:47:00 UTC 2023

PRIMARY

INN

7675

Created by admin on Fri Dec 15 15:47:00 UTC 2023 , Edited by admin on Fri Dec 15 15:47:00 UTC 2023

PRIMARY

CHEBI

63616

Created by admin on Fri Dec 15 15:47:00 UTC 2023 , Edited by admin on Fri Dec 15 15:47:00 UTC 2023

PRIMARY

RXCUI

68446

Created by admin on Fri Dec 15 15:47:00 UTC 2023 , Edited by admin on Fri Dec 15 15:47:00 UTC 2023

PRIMARY

RxNorm

DAILYMED

04Q9AIZ7NO

Created by admin on Fri Dec 15 15:47:00 UTC 2023 , Edited by admin on Fri Dec 15 15:47:00 UTC 2023

PRIMARY

IUPHAR

6837

Created by admin on Fri Dec 15 15:47:00 UTC 2023 , Edited by admin on Fri Dec 15 15:47:00 UTC 2023

PRIMARY

WIKIPEDIA

PEMETREXED

Created by admin on Fri Dec 15 15:47:00 UTC 2023 , Edited by admin on Fri Dec 15 15:47:00 UTC 2023

PRIMARY

CAS

137281-23-3

Created by admin on Fri Dec 15 15:47:00 UTC 2023 , Edited by admin on Fri Dec 15 15:47:00 UTC 2023

PRIMARY

NSC

698037

Created by admin on Fri Dec 15 15:47:00 UTC 2023 , Edited by admin on Fri Dec 15 15:47:00 UTC 2023

PRIMARY

ChEMBL

CHEMBL1201258

Created by admin on Fri Dec 15 15:47:00 UTC 2023 , Edited by admin on Fri Dec 15 15:47:00 UTC 2023

PRIMARY

SMS_ID

100000085475

Created by admin on Fri Dec 15 15:47:00 UTC 2023 , Edited by admin on Fri Dec 15 15:47:00 UTC 2023

PRIMARY

EPA CompTox

DTXSID2048329

Created by admin on Fri Dec 15 15:47:00 UTC 2023 , Edited by admin on Fri Dec 15 15:47:00 UTC 2023

PRIMARY

EVMPD

SUB09655MIG

Created by admin on Fri Dec 15 15:47:00 UTC 2023 , Edited by admin on Fri Dec 15 15:47:00 UTC 2023

PRIMARY

DRUG BANK

DB00642

Created by admin on Fri Dec 15 15:47:00 UTC 2023 , Edited by admin on Fri Dec 15 15:47:00 UTC 2023

PRIMARY

NCI_THESAURUS

C61614

Created by admin on Fri Dec 15 15:47:00 UTC 2023 , Edited by admin on Fri Dec 15 15:47:00 UTC 2023

PRIMARY

HSDB

7316

Created by admin on Fri Dec 15 15:47:00 UTC 2023 , Edited by admin on Fri Dec 15 15:47:00 UTC 2023

PRIMARY

Related Record Type Details


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:


					04Q9AIZ7NO

EXCRETED UNCHANGED

Qualification:

URINE

Amount:


					Z9SLP4OW0Y

PEMETREXED DIPOTASSIUM

SALT/SOLVATE -> PARENT


					F4GSH45R4C

PEMETREXED DISODIUM HEMIPENTAHYDRATE

SALT/SOLVATE -> PARENT


					4HZ67LW8L7

OAT-4

TRANSPORTER -> SUBSTRATE


					F9FD19UQZ9

TRIFUNCTIONAL PURINE BIOSYNTHETIC PROTEIN ADENOSINE-3

TARGET -> INHIBITOR


					ZWJ2Y6JZWY

OAT-3

TRANSPORTER -> SUBSTRATE


					2PKU919BA9

PEMETREXED DISODIUM

SALT/SOLVATE -> PARENT


					236Y2F7D9J

PEMETREXED MONOHYDRATE

SOLVATE->ANHYDROUS


					236Y2F7D9J

PEMETREXED MONOHYDRATE

SALT/SOLVATE -> PARENT


					3NGW6TX8EK

PEMETREXED DIARGININE

SALT/SOLVATE -> PARENT


					UW86GB537A

PEMETREXED TROMETHAMINE

SALT/SOLVATE -> PARENT


					D79B6ADG1E

THYMIDYLATE SYNTHASE

TARGET -> INHIBITOR


					5T4JAQ7QVD

DIHYDROFOLATE REDUCTASE

TARGET -> INHIBITOR


					9T47E4OM16

PEMETREXED DISODIUM HEPTAHYDRATE

SALT/SOLVATE -> PARENT

Related Record Type Details


					04Q9AIZ7NO

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Vdss	PHARMACOKINETIC		`04Q9AIZ7NO` PEMETREXED

Biological Half-life	PHARMACOKINETIC		`04Q9AIZ7NO` PEMETREXED		Elimination: CrCl 40-59 mL/minute PHARMACOKINETIC Elimination: Normal Renal Function PHARMACOKINETIC