Chemical Component Summary

Name9-BUTYL-8-(4-METHOXYBENZYL)-9H-PURIN-6-AMINE
Identifiers9-butyl-8-[(4-methoxyphenyl)methyl]purin-6-amine
FormulaC17 H21 N5 O
Molecular Weight311.382
TypeNON-POLYMER
Isomeric SMILESCCCCn1c(nc2c1ncnc2N)Cc3ccc(cc3)OC
InChIInChI=1S/C17H21N5O/c1-3-4-9-22-14(10-12-5-7-13(23-2)8-6-12)21-15-16(18)19-11-20-17(15)22/h5-8,11H,3-4,9-10H2,1-2H3,(H2,18,19,20)
InChIKeyNVYATAJRTRFKSW-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count0
Bond Count46
Aromatic Bond Count16

Drug Info: DrugBank

DrugBank IDDB03899 
Name9-Butyl-8-(4-Methoxybenzyl)-9h-Purin-6-Amine
Groups experimental
Synonyms9-Butyl-8-(4-Methoxybenzyl)-9h-Purin-6-Amine

Drug Targets

NameTarget SequencePharmacological ActionActions
Heat shock protein HSP 90-alphaMPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELIS...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

Related Resource References

Resource NameReference
PubChem 5289227
ChEMBL CHEMBL112834