CMG

6-O-CYCLOHEXYLMETHYL GUANINE

Created:	2000-05-11
Last modified:	2011-06-04

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3 entries where CMG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	10

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Chemical Component Summary
Name	6-O-CYCLOHEXYLMETHYL GUANINE
Systematic Name (OpenEye OEToolkits)	6-(cyclohexylmethoxy)-9H-purin-2-amine
Formula	C₁₂ H₁₇ N₅ O
Molecular Weight	247.296
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n2c1c(ncn1)c(nc2N)OCC3CCCCC3
SMILES	CACTVS	3.341	Nc1nc2[nH]cnc2c(OCC3CCCCC3)n1
SMILES	OpenEye OEToolkits	1.5.0	c1[nH]c2c(n1)c(nc(n2)N)OCC3CCCCC3
Canonical SMILES	CACTVS	3.341	Nc1nc2[nH]cnc2c(OCC3CCCCC3)n1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1[nH]c2c(n1)c(nc(n2)N)OCC3CCCCC3
InChI	InChI	1.03	InChI=1S/C12H17N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H3,13,14,15,16,17)
InChIKey	InChI	1.03	MWGXGTJJAOZBNW-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB02407
Name	6-O-Cyclohexylmethyl Guanine
Groups	experimental
Synonyms	6-O-Cyclohexylmethyl Guanine

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