Chemical Component Summary

NameN-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamide
IdentifiersN-butyl-3-[6-(9H-purin-6-ylamino)hexanoylamino]benzamide
FormulaC22 H29 N7 O2
Molecular Weight423.511
TypeNON-POLYMER
Isomeric SMILESCCCCNC(=O)c1cccc(c1)NC(=O)CCCCCNc2c3c([nH]cn3)ncn2
InChIInChI=1S/C22H29N7O2/c1-2-3-11-24-22(31)16-8-7-9-17(13-16)29-18(30)10-5-4-6-12-23-20-19-21(26-14-25-19)28-15-27-20/h7-9,13-15H,2-6,10-12H2,1H3,(H,24,31)(H,29,30)(H2,23,25,26,27,28)
InChIKeyWOYITRCGMUXUDE-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count60
Chiral Atom Count0
Bond Count62
Aromatic Bond Count16

Drug Info: DrugBank

DrugBank IDDB07801 
NameN-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamide
Groups experimental
SynonymsN-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamide

Drug Targets

NameTarget SequencePharmacological ActionActions
Aurora kinase AMDRSKENCISGPVKATAPVGGPKRVLVTQQFPCQNPLPVNSGQAQRVLCP...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 24893974
ChEMBL CHEMBL521105