GVI

N-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE

Created:	2007-03-15
Last modified:	2011-06-04

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1 entries where GVI is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	0

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Chemical Component Summary
Name	N-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE
Systematic Name (OpenEye OEToolkits)	N-methyl-1-[4-(9H-purin-6-yl)phenyl]methanamine
Formula	C₁₃ H₁₃ N₅
Molecular Weight	239.276
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n1c(c2ncnc2nc1)c3ccc(cc3)CNC
SMILES	CACTVS	3.341	CNCc1ccc(cc1)c2ncnc3[nH]cnc23
SMILES	OpenEye OEToolkits	1.5.0	CNCc1ccc(cc1)c2c3c([nH]cn3)ncn2
Canonical SMILES	CACTVS	3.341	CNCc1ccc(cc1)c2ncnc3[nH]cnc23
Canonical SMILES	OpenEye OEToolkits	1.5.0	CNCc1ccc(cc1)c2c3c([nH]cn3)ncn2
InChI	InChI	1.03	InChI=1S/C13H13N5/c1-14-6-9-2-4-10(5-3-9)11-12-13(17-7-15-11)18-8-16-12/h2-5,7-8,14H,6H2,1H3,(H,15,16,17,18)
InChIKey	InChI	1.03	VRGSDHJXBVCQEL-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB07854
Name	N-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE
Groups	experimental
Synonyms	N-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
cAMP-dependent protein kinase catalytic subunit alpha	MGNAAAAKKGSEQESVKEFLAKAKEDFLKKWESPAQNTAHLDQFERIKTL...	unknown
cAMP-dependent protein kinase inhibitor alpha	MTDVETTYADFIASGRTGRRNAIHDILVSSASGNSNELALKLAGLDINKT...	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