CPR

6-CHLOROPURINE RIBOSIDE, 5'-MONOPHOSPHATE

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

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2 entries where CPR is found as a standalone ligand3 entries where CPR is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	1
Atom Count	36
Chiral Atom Count	4
Bond Count	38
Aromatic Bond Count	10

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Chemical Component Summary
Name	6-CHLOROPURINE RIBOSIDE, 5'-MONOPHOSPHATE
Systematic Name (OpenEye OEToolkits)	[(2R,3S,4R,5R)-5-(6-chloropurin-1-ium-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
Formula	C₁₀ H₁₃ Cl N₄ O₇ P
Molecular Weight	367.66
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc1c2ncn(c2nc[nH+]1)C3OC(C(O)C3O)COP(=O)(O)O
SMILES	CACTVS	3.341	O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c(Cl)[nH+]cnc23
SMILES	OpenEye OEToolkits	1.5.0	c1[nH+]c(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)Cl
Canonical SMILES	CACTVS	3.341	O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3c(Cl)[nH+]cnc23
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1[nH+]c(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)Cl
InChI	InChI	1.03	InChI=1S/C10H12ClN4O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,18,19,20)/p+1/t4-,6-,7-,10-/m1/s1
InChIKey	InChI	1.03	ALOBOMYIOYNCBS-KQYNXXCUSA-O

Drug Info: DrugBank

DrugBank ID	DB03948
Name	6-Chloropurine Riboside, 5'-Monophosphate
Groups	experimental
Synonyms	6-Chloropurine Riboside, 5'-Monophosphate

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Inosine-5'-monophosphate dehydrogenase 1	MADYLISGGTGYVPEDGLTAQQLFASADGLTYNDFLILPGFIDFIADEVD...	unknown
Inosine-5'-monophosphate dehydrogenase 2	MADYLISGGTSYVPDDGLTAQQLFNCGDGLTYNDFLILPGYIDFTADQVD...	unknown

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