CDY

2-CHLORODIDEOXYADENOSINE

Created:	2003-09-11
Last modified:	2011-06-04

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1 entries where CDY is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	2
Bond Count	32
Aromatic Bond Count	10

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Chemical Component Summary
Name	2-CHLORODIDEOXYADENOSINE
Systematic Name (OpenEye OEToolkits)	[(2S,5R)-5-(6-amino-2-chloro-purin-9-yl)oxolan-2-yl]methanol
Formula	C₁₀ H₁₂ Cl N₅ O₂
Molecular Weight	269.688
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc1nc(c2ncn(c2n1)C3OC(CC3)CO)N
SMILES	CACTVS	3.341	Nc1nc(Cl)nc2n(cnc12)[CH]3CC[CH](CO)O3
SMILES	OpenEye OEToolkits	1.5.0	c1nc2c(nc(nc2n1C3CCC(O3)CO)Cl)N
Canonical SMILES	CACTVS	3.341	Nc1nc(Cl)nc2n(cnc12)[C@H]3CC[C@@H](CO)O3
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1nc2c(nc(nc2n1[C@H]3CC[C@H](O3)CO)Cl)N
InChI	InChI	1.03	InChI=1S/C10H12ClN5O2/c11-10-14-8(12)7-9(15-10)16(4-13-7)6-2-1-5(3-17)18-6/h4-6,17H,1-3H2,(H2,12,14,15)/t5-,6+/m0/s1
InChIKey	InChI	1.03	FNLILOONPKMGST-NTSWFWBYSA-N

Drug Info: DrugBank

DrugBank ID	DB02103
Name	2-Chlorodideoxyadenosine
Groups	experimental
Synonyms	2-Chlorodideoxyadenosine
CAS number	114849-58-0

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Endoplasmin	MRALWVLGLCCVLLTFGSVRADDEVDVDGTVEEDLGKSREGSRTDDEVVQ...	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