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iGMDRD102

Canonical SMILES: CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(C)C3=CC=C(S3)C(=O)NC(CCC(=O)O)C(=O)O

InChI: InChI=1S/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1

InChI Key: IVTVGDXNLFLDRM-HNNXBMFYSA-N

Standard Name	CHEMBL	Pubchem CID	KEGG Drug ID	DRUGBANK ID	Drug Status	Drug targets (TTD)	Drug Type
Raltitrexed	CHEMBL225071	104758	D01064	DB00293	Alone	DAP000759	Small Molecule

Drug Class:

Antimetabolites Antimetabolites, Antineoplastic Antineoplastic Agents Antineoplastic and Immunomodulating Agents Enzyme Inhibitors Folic Acid Analogues Folic Acid Antagonists Heterocyclic Compounds Heterocyclic Compounds, 1-Ring Heterocyclic Compounds, 2-Ring Immunosuppressive Agents Myelosuppressive Agents Noxae Sulfur Compounds Thymidylate Synthase, antagonists & inhibitors Toxic Actions

Drug Targets:

TYMS (P04818)FPGS (Q05932)

Drug Pathways:

Pyrimidine metabolism One carbon pool by folate

Drug Synonyms:

Raltitrexed (JAN/USAN/INN)Tomudex (TN)

Drug-model tissue-cancer distribution: Bubble Plot

Drug-gene pathway enrichments

Drug-gene GO enrichments

Drug-Gene: Aster Plot

Gene ID	Gene Name	Model Num.
7298	TYMS	1

Gene in drug-gene network: Network Plot

Models in Raltitrexed

SITE

DATATYPES

CLASSFICATION

Disclaimer: iGMDR is intended for research purposes only. Its information cannot be used for emergencies or medical or professional advice.