Ligand id: 7613

Name: trimetrexate

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 117.54
Molecular weight 369.18
XLogP 1.45
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

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2,4-Diamino-5-substituted-quinazolines as inhibitors of a human dihydrofolate reductase with a site-directed mutation at position 22 and of the dihydrofolate reductases from Pneumocystis carinii and Toxoplasma gondii.
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Trimetrexate in relapsed T-cell lymphoma with skin involvement.
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Trimetrexate-leucovorin dosage evaluation study for treatment of Pneumocystis carinii pneumonia.
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Trimetrexate in the treatment of recurrent or advanced leiomyosarcoma of the uterus: a phase II study of the Gynecologic Oncology Group.
Gynecol. Oncol., 84 (1): 140-4. [PMID:11748990]
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Phase I clinical and pharmacokinetic study of trimetrexate using a daily x5 schedule.
Cancer Res., 48 (17): 5029-35. [PMID:2970294]
6. Wong BK, Woolf TF, Chang T, Whitfield LR. (1990)
Metabolic disposition of trimetrexate, a nonclassical dihydrofolate reductase inhibitor, in rat and dog.
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