Drug General Information
Drug ID
D0M3MN
Former ID
DAP001244
Drug Name
Leucovorin/5-fluorouracil
Drug Type
Small molecular drug
Indication Colon cancer [ICD9: 153, 154; ICD10:C50] Approved [536361]
Therapeutic Class
Vitamins
Structure
Download
2D MOL

3D MOL

Formula
C20H23N7O7
Canonical SMILES
C1C(N(C2=C(N1)NC(=NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CC<br />C(=O)O)C(=O)O
InChI
1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12?,13-/m1/s1
InChIKey
VVIAGPKUTFNRDU-ZGTCLIOFSA-N
CAS Number
CAS 1492-18-8
PubChem Compound ID
PubChem Substance ID
SuperDrug ATC ID
V03AF03
SuperDrug CAS ID
cas=001492188
Target and Pathway
Target(s) Thymidylate synthase Target Info Inhibitor [536699], [537251]
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 Pyrimidine Metabolism
Reactome 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 536361Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77. Epub 2007 Feb 20.
Ref 536699Evaluating the drug-target relationship between thymidylate synthase expression and tumor response to 5-fluorouracil. Is it time to move forward? Cancer Biol Ther. 2008 Jul;7(7):986-94. Epub 2008 Apr 21.
Ref 537251Decreased levels of UMP kinase as a mechanism of fluoropyrimidine resistance. Mol Cancer Ther. 2009 Apr 21.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.