DCF

2'-DEOXYCOFORMYCIN

Created:	1999-07-08
Last modified:	2011-06-04

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4 entries where DCF is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	4
Bond Count	37
Aromatic Bond Count	5

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Chemical Component Summary
Name	2'-DEOXYCOFORMYCIN
Systematic Name (OpenEye OEToolkits)	(8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dihydro-6H-imidazo[4,5-f][1,3]diazepin-8-ol
Formula	C₁₁ H₁₆ N₄ O₄
Molecular Weight	268.269
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n2c1c(N=CNCC1O)n(c2)C3OC(C(O)C3)CO
SMILES	CACTVS	3.341	OC[CH]1O[CH](C[CH]1O)n2cnc3[CH](O)CNC=Nc23
SMILES	OpenEye OEToolkits	1.5.0	c1nc2c(n1C3CC(C(O3)CO)O)N=CNCC2O
Canonical SMILES	CACTVS	3.341	OC[C@H]1O[C@H](C[C@@H]1O)n2cnc3[C@H](O)CNC=Nc23
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)N=CNC[C@H]2O
InChI	InChI	1.03	InChI=1S/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,16-18H,1-3H2,(H,12,13)/t6-,7+,8+,9+/m0/s1
InChIKey	InChI	1.03	FPVKHBSQESCIEP-JQCXWYLXSA-N

Drug Info: DrugBank

DrugBank ID	DB00552 ?
Name	Pentostatin
Groups	investigational approved
Description	A potent inhibitor of adenosine deaminase. The drug is effective in the treatment of many lymphoproliferative malignancies, particularly hairy-cell leukemia. It is also synergistic with some other antineoplastic agents and has immunosuppressive activity.
Synonyms	Co-vidarabine Pentostatinum Pentostatin Pentostatina Pentostatine
Brand Names	Nipent Pentostatin Nipent Pws 10mg/vial
Indication	For the treatment of hairy cell leukaemia refractory to alpha interferon.
Categories	Adenosine Deaminase Inhibitors Antineoplastic Agents Antineoplastic and Immunomodulating Agents Cancer immunotherapy Cardiotoxic antineoplastic agents Coformycin Deoxyribonucleosides Drugs that are Mainly Renally Excreted Drugs that are Mainly Renally Excreted with a Narrow Therapeutic Index Enzyme Inhibitors Formycins Immunosuppressive Agents Immunotherapy Myelosuppressive Agents Narrow Therapeutic Index Drugs Nucleic Acid Synthesis Inhibitors Nucleic Acids, Nucleotides, and Nucleosides Nucleoside Metabolic Inhibitor Nucleosides Pyrimidine Nucleosides Pyrimidines
ATC-Code	L01XX08
CAS number	53910-25-1

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Adenosine deaminase	MAQTPAFDKPKVELHVHLDGSIKPETILYYGRRRGIALPANTAEGLLNVI...	unknown	inhibitor

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682