Drug Information

Drug General Information
Drug ID
DX7IGT
Drug Name
N-[4-[(2-amino-6-ethyl-3,4-dihydro-4-oxo-7H-pyrrolo[2,3-d]-pyrimidin-5-yl)thio]benzoyl]-L-glutamic acid
Synonyms
CHEMBL371860
Indication Discovery agent Investigative [1587926]
Formula
C20H21N5O6S
Canonical SMILES
CCc1[nH]c2nc(N)nc(O)c2c1Sc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI
InChI=1S/C20H21N5O6S/c1-2-11-15(14-16(22-11)24-20(21)25-18(14)29)32-10-5-3-9(4-6-10)17(28)23-12(19(30)31)7-8-13(26)27/h3-6,12H,2,7-8H2,1H3,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t12-/m0/s1
InChIKey
TXULAHBZZCHUNL-LBPRGKRZSA-N
Target and Pathway
Target(s) Dihydrofolate reductase Target Info [1587926]
Thymidylate synthase Target Info [1587926]
BioCyc Pathway Pyrimidine deoxyribonucleotides biosynthesis from CTP
Pyrimidine deoxyribonucleotides de novo biosynthesis
Superpathway of pyrimidine deoxyribonucleotides de novo biosynthesis
Superpathway of pyrimidine deoxyribonucleoside salvage
DTMP de novo biosynthesis (mitochondrial)
Pyrimidine deoxyribonucleosides salvage
KEGG Pathway Pyrimidine metabolism
One carbon pool by folate
Metabolic pathways
PANTHER Pathway De novo pyrimidine deoxyribonucleotide biosynthesis
Formyltetrahydroformate biosynthesis
Pathway Interaction Database E2F transcription factor network
PathWhiz Pathway Folate Metabolism
Pterine BiosynthesisPW000160:Pyrimidine Metabolism
Reactome E2F mediated regulation of DNA replication
Tetrahydrobiopterin (BH4) synthesis, recycling, salvage and regulation
Metabolism of folate and pterines
G1/S-Specific TranscriptionR-HSA-113510:E2F mediated regulation of DNA replication
Pyrimidine biosynthesis
G1/S-Specific Transcription
WikiPathways Trans-sulfuration and one carbon metabolism
Retinoblastoma (RB) in Cancer
One Carbon Metabolism
Integrated Pancreatic Cancer Pathway
miR-targeted genes in muscle cell - TarBase
miR-targeted genes in lymphocytes - TarBase
miR-targeted genes in leukocytes - TarBase
miR-targeted genes in epithelium - TarBase
Metabolism of nucleotides
Fluoropyrimidine Activity
References
Ref 1587926URL: https://www.ebi.ac.uk/chembl/ The ChEMBL database in 2017
Ref 1587926URL: https://www.ebi.ac.uk/chembl/ The ChEMBL database in 2017

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