GVK

6-{4-[4-(4-CHLOROPHENYL)PIPERIDIN-4-YL]PHENYL}-9H-PURINE

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

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1 entries where GVK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	48
Chiral Atom Count	0
Bond Count	52
Aromatic Bond Count	0

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Chemical Component Summary
Name	6-{4-[4-(4-CHLOROPHENYL)PIPERIDIN-4-YL]PHENYL}-9H-PURINE
Systematic Name (OpenEye OEToolkits)	6-[4-[4-(4-chlorophenyl)piperidin-4-yl]phenyl]-9H-purine
Formula	C₂₂ H₂₀ Cl N₅
Molecular Weight	389.881
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc1ccc(cc1)C5(c4ccc(c3ncnc2c3ncn2)cc4)CCNCC5
SMILES	CACTVS	3.341	Clc1ccc(cc1)C2(CCNCC2)c3ccc(cc3)c4ncnc5[nH]cnc45
SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1c2c3c([nH]cn3)ncn2)C4(CCNCC4)c5ccc(cc5)Cl
Canonical SMILES	CACTVS	3.341	Clc1ccc(cc1)C2(CCNCC2)c3ccc(cc3)c4ncnc5[nH]cnc45
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1c2c3c([nH]cn3)ncn2)C4(CCNCC4)c5ccc(cc5)Cl
InChI	InChI	1.03	InChI=1S/C22H20ClN5/c23-18-7-5-17(6-8-18)22(9-11-24-12-10-22)16-3-1-15(2-4-16)19-20-21(27-13-25-19)28-14-26-20/h1-8,13-14,24H,9-12H2,(H,25,26,27,28)
InChIKey	InChI	1.03	HPWBHQIUIBFTQC-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB07856
Name	6-{4-[4-(4-CHLOROPHENYL)PIPERIDIN-4-YL]PHENYL}-9H-PURINE
Groups	experimental
Synonyms	6-{4-[4-(4-CHLOROPHENYL)PIPERIDIN-4-YL]PHENYL}-9H-PURINE

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