Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D05WHM
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| Former ID |
DNC000592
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| Drug Name |
Edatrexate
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| Synonyms |
EDATREXATE; 80576-83-6; TCMDC-137768; GNF-Pf-63; CHEMBL296373; 10-Ethyl-10-deazaaminopterin; CGP-30694; Edatrexate [USAN:INN]; Edatrexatum [INN-Latin]; Edatrexato [INN-Spanish]; Edatrexatum; Edatrexato; CGP 30694; EDX; psylliumseed; N-(p-(1-((2,4-Diamino-6-pteridinyl)methyl)propyl)benzoyl)-L-glutamic acid; L-Glutamic acid, N-(4-(1-((2,4-diamino-6-pteridinyl)methyl)propyl)benzoyl)-; AC1OCESK; Edatrexate (USAN/INN); SCHEMBL4676; 10-ethyl-10-deazaaminopterine; CHEBI:135757
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C22H25N7O5
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| Canonical SMILES |
CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
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| 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
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| InChIKey |
FSIRXIHZBIXHKT-MHTVFEQDSA-N
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| CAS Number |
CAS 80576-83-6
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| ChEBI ID |
CHEBI:135757
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Polypeptide deformylase (PDF) | Target Info | Inhibitor | [1] |
| 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 | Top | |||
|---|---|---|---|---|
| REF 1 | Loss 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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