Drug Information

Drug General Information
Drug ID
D05WHM
Former ID
DNC000592
Drug Name
Edatrexate
Drug Type
Small molecular drug
Indication Discovery agent Investigative [535644]
Structure
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2D MOL

3D MOL
Formula
C22H25N7O5
Canonical SMILES
CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(C<br />CC(=O)O)C(=O)O
InChI
1S/C22H25N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,10-11,15H,2,7-9H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H4,23,24,25,28,29)/t11?,15-/m0/s1
InChIKey
FSIRXIHZBIXHKT-MHTVFEQDSA-N
CAS Number
CAS 80576-83-6
PubChem Compound ID
6917908
PubChem Substance ID
12013607, 14882817, 17194601, 43529315, 47205930, 50495155, 57371732, 85866877, 103239449, 103927872, 114787140, 127892655, 131332798, 134339985, 137241177, 143157938, 179151211, 198977387, 226396623, 241161230
Target and Pathway
Target(s) Dihydrofolate reductase Target Info Inhibitor [535644]
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 535644Loss of folylpoly-gamma-glutamate synthetase activity is a dominant mechanism of resistance to polyglutamylation-dependent novel antifolates in multiple human leukemia sublines. Int J Cancer. 2003 Feb 20;103(5):587-99.
Ref 535644Loss of folylpoly-gamma-glutamate synthetase activity is a dominant mechanism of resistance to polyglutamylation-dependent novel antifolates in multiple human leukemia sublines. Int J Cancer. 2003 Feb 20;103(5):587-99.

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