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]
Structure		Download 2D MOL 3D MOL
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 530956	J 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 530956	J Med Chem. 2010 Sep 23;53(18):6539-49.Novel approaches for targeting thymidylate synthase to overcome the resistance and toxicity of anticancer drugs.

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