Drug Information

Drug General Information
Drug ID
D0G6CU
Former ID
DNC011195
Drug Name
1,3-propanediphosphonic acid
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530956]
Formula
C3H10O6P2
Canonical SMILES
C(CP(=O)(O)O)CP(=O)(O)O
InChI
1S/C3H10O6P2/c4-10(5,6)2-1-3-11(7,8)9/h1-3H2,(H2,4,5,6)(H2,7,8,9)
InChIKey
PUVMVPFLXCHEOY-UHFFFAOYSA-N
PubChem Compound ID
437081
Target and Pathway
Target(s) Thymidylate synthase Target Info Inhibitor [530956]
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 530956J Med Chem. 2010 Sep 23;53(18):6539-49.Novel approaches for targeting thymidylate synthase to overcome the resistance and toxicity of anticancer drugs.
Ref 530956J Med Chem. 2010 Sep 23;53(18):6539-49.Novel approaches for targeting thymidylate synthase to overcome the resistance and toxicity of anticancer drugs.