Drug Information

Drug General Information
Drug ID
D04WON
Former ID
DNC001516
Drug Name
WR99210
Drug Type
Small molecular drug
Indication Malaria [ICD10:B54] Investigative [535582], [538065]
Structure
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2D MOL

3D MOL
Formula
C14H18Cl3N5O2
Canonical SMILES
CC1(N=C(N=C(N1OCCCOC2=CC(=C(C=C2Cl)Cl)Cl)N)N)C
InChI
1S/C14H18Cl3N5O2/c1-14(2)21-12(18)20-13(19)22(14)24-5-3-4-23-11-7-9(16)8(15)6-10(11)17/h6-7H,3-5H2,1-2H3,(H4,18,19,20,21)
InChIKey
MJZJYWCQPMNPRM-UHFFFAOYSA-N
CAS Number
CAS 30711-93-4
PubChem Compound ID
121750
PubChem Substance ID
614492, 823183, 823189, 4527735, 7891105, 10239793, 29302276, 46518847, 49681202, 50056184, 57339796, 78224786, 99445205, 103093139, 103153171, 103360057, 104414196, 117467219, 125003759, 126434907, 128606817, 134339455, 134340682, 134348445, 135104992, 137162230, 140069380, 140329273, 162103422, 162834112, 179148263, 223711256, 234126482
Target and Pathway
Target(s) Dihydrofolate reductase Target Info Inhibitor [535582], [538065]
PathWhiz Pathway Folate Metabolism
Pterine Biosynthesis
Reactome E2F mediated regulation of DNA replication
Tetrahydrobiopterin (BH4) synthesis, recycling, salvage and regulation
Metabolism of folate and pterines
G1/S-Specific Transcription
References
Ref 535582Novel Saccharomyces cerevisiae screen identifies WR99210 analogues that inhibit Mycobacterium tuberculosis dihydrofolate reductase. Antimicrob Agents Chemother. 2002 Nov;46(11):3362-9.
Ref 538065Transformation with human dihydrofolate reductase renders malaria parasites insensitive to WR99210 but does not affect the intrinsic activity of proguanil. Proc Natl Acad Sci U S A. 1997 Sep 30;94(20):10931-6.
Ref 535582Novel Saccharomyces cerevisiae screen identifies WR99210 analogues that inhibit Mycobacterium tuberculosis dihydrofolate reductase. Antimicrob Agents Chemother. 2002 Nov;46(11):3362-9.
Ref 538065Transformation with human dihydrofolate reductase renders malaria parasites insensitive to WR99210 but does not affect the intrinsic activity of proguanil. Proc Natl Acad Sci U S A. 1997 Sep 30;94(20):10931-6.

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