2QG

2-[6-(4-chlorophenoxy)hexyl]-1-cyano-3-pyridin-4-ylguanidine

Created:	2014-01-08
Last modified:	2014-06-18

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1 entries where 2QG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	48
Chiral Atom Count	0
Bond Count	49
Aromatic Bond Count	12

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Chemical Component Summary
Name	2-[6-(4-chlorophenoxy)hexyl]-1-cyano-3-pyridin-4-ylguanidine
Systematic Name (OpenEye OEToolkits)	2-[6-(4-chloranylphenoxy)hexyl]-1-cyano-3-pyridin-4-yl-guanidine
Formula	C₁₉ H₂₂ Cl N₅ O
Molecular Weight	371.864
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc2ccc(OCCCCCC/N=C(\NC#N)Nc1ccncc1)cc2
SMILES	CACTVS	3.385	Clc1ccc(OCCCCCCN=C(NC#N)Nc2ccncc2)cc1
SMILES	OpenEye OEToolkits	1.7.6	c1cc(ccc1OCCCCCCN=C(NC#N)Nc2ccncc2)Cl
Canonical SMILES	CACTVS	3.385	Clc1ccc(OCCCCCCN=C(NC#N)Nc2ccncc2)cc1
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(ccc1OCCCCCC/N=C(\NC#N)/Nc2ccncc2)Cl
InChI	InChI	1.03	InChI=1S/C19H22ClN5O/c20-16-5-7-18(8-6-16)26-14-4-2-1-3-11-23-19(24-15-21)25-17-9-12-22-13-10-17/h5-10,12-13H,1-4,11,14H2,(H2,22,23,24,25)
InChIKey	InChI	1.03	BOIPLTNGIAPDBY-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB12980
Name	CHS-828
Groups	investigational
Description	CHS-828 has been used in trials studying the treatment of Unspecified Adult Solid Tumor, Protocol Specific.
Synonyms	CHS-828
Categories	Amidines Anions Electrolytes Ions Nitrogen Compounds
CAS number	200484-11-3

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Nicotinamide phosphoribosyltransferase	MNPAAEAEFNILLATDSYKVTHYKQYPPNTSKVYSYFECREKKTENSKLR...	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