6CP

6-CYCLOHEXYLMETHOXY-2-(3'-CHLOROANILINO) PURINE

Created:	2002-07-21
Last modified:	2011-06-04

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1 entries where 6CP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	0
Bond Count	48
Aromatic Bond Count	16

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Chemical Component Summary
Name	6-CYCLOHEXYLMETHOXY-2-(3'-CHLOROANILINO) PURINE
Systematic Name (OpenEye OEToolkits)	N-(3-chlorophenyl)-6-(cyclohexylmethoxy)-7H-purin-2-amine
Formula	C₁₈ H₂₀ Cl N₅ O
Molecular Weight	357.837
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc1cccc(c1)Nc3nc(OCC2CCCCC2)c4c(n3)ncn4
SMILES	CACTVS	3.341	Clc1cccc(Nc2nc(OCC3CCCCC3)c4[nH]cnc4n2)c1
SMILES	OpenEye OEToolkits	1.5.0	c1cc(cc(c1)Cl)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3
Canonical SMILES	CACTVS	3.341	Clc1cccc(Nc2nc(OCC3CCCCC3)c4[nH]cnc4n2)c1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(cc(c1)Cl)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3
InChI	InChI	1.03	InChI=1S/C18H20ClN5O/c19-13-7-4-8-14(9-13)22-18-23-16-15(20-11-21-16)17(24-18)25-10-12-5-2-1-3-6-12/h4,7-9,11-12H,1-3,5-6,10H2,(H2,20,21,22,23,24)
InChIKey	InChI	1.03	OUEGMEMDEAOAEG-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB07203
Name	6-CYCLOHEXYLMETHOXY-2-(3'-CHLOROANILINO) PURINE
Groups	experimental
Synonyms	6-CYCLOHEXYLMETHOXY-2-(3'-CHLOROANILINO) PURINE

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Cyclin-A2	MLGNSAPGPATREAGSALLALQQTALQEDQENINPEKAAPVQQPRTRAAL...	unknown
Cyclin-dependent kinase 2	MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIR...	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