pelitrexol (CHEBI:752590)

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CHEBI:752590 - pelitrexol

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ChEBI ID	CHEBI:752590
ChEBI Name	pelitrexol
Stars
Last Modified	29 June 2026
Submitter	ChEMBL
Downloads	Molfile

Formula	C20H25N5O6S
Net Charge	0
Average Mass	463.516
Monoisotopic Mass	463.15255
SMILES	Cc1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)sc1CC[C@@H]1CNc2nc(N)nc(=O)c2C1
InChI	InChI=1S/C20H25N5O6S/c1-9-6-14(18(29)23-12(19(30)31)3-5-15(26)27)32-13(9)4-2-10-7-11-16(22-8-10)24-20(21)25-17(11)28/h6,10,12H,2-5,7-8H2,1H3,(H,23,29)(H,26,27)(H,30,31)(H4,21,22,24,25,28)/t10-,12-/m0/s1
InChIKey	QXOPTIPQEVJERB-JQWIXIFHSA-N

Roles Classification

antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology

Outgoing Relation(s)
	pelitrexol (CHEBI:752590) has role antineoplastic agent (CHEBI:35610)
	pelitrexol (CHEBI:752590) is a glutamic acid derivative (CHEBI:24315)

INN	Source
pelitrexol	WHO MedNet

Synonyms	Source
AG-2037	ChEMBL
AG2037	ChEMBL