IDETREXED

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NCATS

Investigational

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H33N5O10
Molecular Weight	647.6319
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of IDETREXED

Structure Search

SMILES

OCC1=NC2=C(C=C3[C@H](CCC3=C2)N(CC#C)C4=CC=C(C=C4)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(O)=O)C(O)=O)C(O)=O)C(=O)N1

InChI

InChIKey=NVHRBQOZEMFKLD-CUYJMHBOSA-N

InChI=1S/C32H33N5O10/c1-2-13-37(25-10-5-18-14-24-21(15-20(18)25)30(43)36-26(16-38)33-24)19-6-3-17(4-7-19)29(42)35-23(32(46)47)8-11-27(39)34-22(31(44)45)9-12-28(40)41/h1,3-4,6-7,14-15,22-23,25,38H,5,8-13,16H2,(H,34,39)(H,35,42)(H,40,41)(H,44,45)(H,46,47)(H,33,36,43)/t22-,23+,25+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C32H33N5O10
Molecular Weight	647.6319
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:29:48 GMT 2025` Edited by `admin` on `Mon Mar 31 23:29:48 GMT 2025`
Record UNII	Q718FS1C7X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

IDETREXED

Official Name

English

6S-BGC-945

Preferred Name

English

idetrexed [INN]

Common Name

English

D-GLUTAMIC ACID, N-(4-(2-PROPYNYL((6S)-4,6,7,8-TETRAHYDRO-2-(HYDROXYMETHYL)-4-OXO-1H-CYCLOPENTA(G)QUINAZOLIN-6-YL)AMINO)BENZOYL)-L-.GAMMA.-GLUTAMYL-

Systematic Name

English

N-(4-(2-PROPYN-1-YL((6S)-4,6,7,8-TETRAHYDRO-2-(HYDROXYMETHYL)-4-OXO-3H-CYCLOPENTA(G)QUINAZOLIN-6-YL)AMINO)BENZOYL)-L-.GAMMA.-GLUTAMYL-D-GLUTAMIC ACID

Systematic Name

English

CB-300945 (S)

Code

English

ONX-0801

Code

English

ONX-801

Code

English

BGC-945

Code

English

Idetrexed [WHO-DD]

Common Name

English

Code System Code Type Description

CAS

501332-69-0

Created by admin on Mon Mar 31 23:29:48 GMT 2025 , Edited by admin on Mon Mar 31 23:29:48 GMT 2025

PRIMARY

PUBCHEM

135487419

Created by admin on Mon Mar 31 23:29:48 GMT 2025 , Edited by admin on Mon Mar 31 23:29:48 GMT 2025

PRIMARY

FDA UNII

Q718FS1C7X

Created by admin on Mon Mar 31 23:29:48 GMT 2025 , Edited by admin on Mon Mar 31 23:29:48 GMT 2025

PRIMARY

EPA CompTox

DTXSID701337116

Created by admin on Mon Mar 31 23:29:48 GMT 2025 , Edited by admin on Mon Mar 31 23:29:48 GMT 2025

PRIMARY

NCI_THESAURUS

C120550

Created by admin on Mon Mar 31 23:29:48 GMT 2025 , Edited by admin on Mon Mar 31 23:29:48 GMT 2025

PRIMARY

WIKIPEDIA

ONX-0801

Created by admin on Mon Mar 31 23:29:48 GMT 2025 , Edited by admin on Mon Mar 31 23:29:48 GMT 2025

PRIMARY

INN

11325

Created by admin on Mon Mar 31 23:29:48 GMT 2025 , Edited by admin on Mon Mar 31 23:29:48 GMT 2025

PRIMARY

SMS_ID

100000184029

Created by admin on Mon Mar 31 23:29:48 GMT 2025 , Edited by admin on Mon Mar 31 23:29:48 GMT 2025

PRIMARY

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Comments:

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Amount:


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IDETREXED

ACTIVE MOIETY

Comments:

Originator: BTG, The Institute of Cancer Research; Developer: Onyx Pharmaceuticals, Royal Marsden NHS Foundation Trust, The Institute of Cancer Research; Class: Antineoplastic, Quinazoline; Mechanism of Action: Thymidylate synthase inhibitor; Highest Development Phase: Phase I for Solid tumours; Most Recent Events: 11 Mar 2016 Phase-I development is ongoing in United Kingdom, 01 Oct 2013 Onyx Pharmaceuticals has been acquired by Amgen, 31 Mar 2011 Onyx Pharmaceuticals completes a Phase-I trial in Solid tumours in United Kingdom (ISRCTN79302332)

Amount: