TMQ

TRIMETREXATE

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is present as a standalone ligand in 6 entries

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Chemical Component Summary
Name	TRIMETREXATE
Identifiers	5-methyl-6-[[(3,4,5-trimethoxyphenyl)amino]methyl]quinazolin-1-ium-2,4-diamine
Formula	C₁₉ H₂₄ N₅ O₃
Molecular Weight	370.426
Type	NON-POLYMER
Isomeric SMILES	Cc1c(ccc2c1c(nc([nH+]2)N)N)CNc3cc(c(c(c3)OC)OC)OC
InChI	InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)/p+1
InChIKey	NOYPYLRCIDNJJB-UHFFFAOYSA-O

Chemical Details
Formal Charge	1
Atom Count	51
Chiral Atom Count	0
Bond Count	53
Aromatic Bond Count	17

Drug Info: DrugBank

DrugBank ID	DB01157
Name	Trimetrexate
Groups	approved investigational
Description	A nonclassical folic acid inhibitor through its inhibition of the enzyme dihydrofolate reductase. It is being tested for efficacy as an antineoplastic agent and as an antiparasitic agent against pneumocystis pneumonia in AIDS patients. Myelosuppression is its dose-limiting toxic effect.
Synonyms	Trimetrexato Trimetrexatum Trimetrexate glucuronate Trimetrexate
Brand Names	Neutrexin Neutrexin Pws IV 25mg/vial
Indication	For use, with concurrent leucovorin administration (leucovorin protection), as an alternative therapy for the treatment of moderate-to-severe <i>Pneumocystis carinii</i> pneumonia (PCP) in immunocompromised patients, including patients with the acquired immunodeficiency syndrome (AIDS). Also used to treat several types of cancer including colon cancer.
Categories	Acids, Acyclic Acids, Aldehydic Anti-Infective Agents Antimetabolites Antineoplastic Agents Antiparasitic Products, Insecticides and Repellents Antiprotozoals Carbohydrates Drugs that are Mainly Renally Excreted Enzyme Inhibitors Folic Acid Antagonists Hepatotoxic Agents Heterocyclic Compounds, Fused-Ring Hydroxy Acids Narrow Therapeutic Index Drugs Noxae Pharmaceutical Preparations Quinazolines Sugar Acids Toxic Actions Uronic Acids
ATC-Code	P01AX07
CAS number	52128-35-5

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Dihydrofolate reductase	MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNL...	unknown	inhibitor
Folate transporter 1	MVPSSPAVEKQVPVEPGPDPELRSWRHLVCYLCFYGFMAQIRPGESFITP...	unknown	substrate

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682