DZG

1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine

Created:	2009-03-25
Last modified:	2011-06-04

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1 entries where DZG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	52
Chiral Atom Count	0
Bond Count	55
Aromatic Bond Count	12

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Chemical Component Summary
Name	1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine
Systematic Name (OpenEye OEToolkits)	1-(2,3-dihydro-1,4-benzodioxin-7-ylsulfonyl)-4-(4-methoxyphenyl)sulfonyl-piperazine
Formula	C₁₉ H₂₂ N₂ O₇ S₂
Molecular Weight	454.517
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=S(=O)(c1ccc(OC)cc1)N2CCN(CC2)S(=O)(=O)c3ccc4OCCOc4c3
SMILES	CACTVS	3.341	COc1ccc(cc1)[S](=O)(=O)N2CCN(CC2)[S](=O)(=O)c3ccc4OCCOc4c3
SMILES	OpenEye OEToolkits	1.5.0	COc1ccc(cc1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3ccc4c(c3)OCCO4
Canonical SMILES	CACTVS	3.341	COc1ccc(cc1)[S](=O)(=O)N2CCN(CC2)[S](=O)(=O)c3ccc4OCCOc4c3
Canonical SMILES	OpenEye OEToolkits	1.5.0	COc1ccc(cc1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3ccc4c(c3)OCCO4
InChI	InChI	1.03	InChI=1S/C19H22N2O7S2/c1-26-15-2-4-16(5-3-15)29(22,23)20-8-10-21(11-9-20)30(24,25)17-6-7-18-19(14-17)28-13-12-27-18/h2-7,14H,8-13H2,1H3
InChIKey	InChI	1.03	HMGDKYUJSFVHIY-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB07697
Name	1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine
Groups	experimental
Synonyms	1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Pyruvate kinase PKM	MSKPHSEAGTAFIQTQQLHAAMADTFLEHMCRLDIDSPPITARNTGIICT...	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