trimetrexate

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

References
1. Rosowsky A, Mota CE, Queener SF, Waltham M, Ercikan-Abali E, Bertino JR. (1995)
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.
J. Med. Chem.38 (5): 745-52. [PMID:7877140]
2. Sarris AH, Phan A, Duvic M, Romaguera J, McLaughlin P, Mesina O, King K, Medeiros LJ, Rassidakis GZ, Samuels B et al.. (2002)
Trimetrexate in relapsed T-cell lymphoma with skin involvement.
J. Clin. Oncol.20 (12): 2876-80. [PMID:12065565]
3. Sattler FR, Allegra CJ, Verdegem TD, Akil B, Tuazon CU, Hughlett C, Ogata-Arakaki D, Feinberg J, Shelhamer J, Lane HC et al.. (1990)
Trimetrexate-leucovorin dosage evaluation study for treatment of Pneumocystis carinii pneumonia.
J. Infect. Dis.161 (1): 91-6. [PMID:2136905]
4. Smith HO, Blessing JA, Vaccarello L. (2002)
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]
5. Stewart JA, McCormack JJ, Tong W, Low JB, Roberts JD, Blow A, Whitfield LR, Haugh LD, Grove WR, Lopez AJ et al.. (1988)
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.
Drug Metab. Dispos.18 (6): 980-6. [PMID:1981548]