DFY

(5,6-DIPHENYL-FURO[2,3-D]PYRIMIDIN-4-YLAMINO)-ACETIC

Created:2005-05-05
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count45
Chiral Atom Count0
Bond Count48
Aromatic Bond Count24
2D diagram of DFY

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Chemical Component Summary

Name(5,6-DIPHENYL-FURO[2,3-D]PYRIMIDIN-4-YLAMINO)-ACETIC
Systematic Name (OpenEye OEToolkits)2-[(5,6-diphenylfuro[3,2-e]pyrimidin-4-yl)-methyl-amino]ethanol
FormulaC21 H19 N3 O2
Molecular Weight345.394
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04n1c(c2c(nc1)oc(c2c3ccccc3)c4ccccc4)N(CCO)C
SMILESCACTVS3.341CN(CCO)c1ncnc2oc(c3ccccc3)c(c4ccccc4)c12
SMILESOpenEye OEToolkits1.5.0CN(CCO)c1c2c(c(oc2ncn1)c3ccccc3)c4ccccc4
Canonical SMILESCACTVS3.341 CN(CCO)c1ncnc2oc(c3ccccc3)c(c4ccccc4)c12
Canonical SMILESOpenEye OEToolkits1.5.0 CN(CCO)c1c2c(c(oc2ncn1)c3ccccc3)c4ccccc4
InChIInChI1.03 InChI=1S/C21H19N3O2/c1-24(12-13-25)20-18-17(15-8-4-2-5-9-15)19(16-10-6-3-7-11-16)26-21(18)23-14-22-20/h2-11,14,25H,12-13H2,1H3
InChIKeyInChI1.03 VDJWWYRYKMXMKA-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB07654 
Name(5,6-DIPHENYL-FURO[2,3-D]PYRIMIDIN-4-YLAMINO)-ACETIC
Groups experimental
Synonyms(5,6-DIPHENYL-FURO[2,3-D]PYRIMIDIN-4-YLAMINO)-ACETIC

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Serine/threonine-protein kinase Chk1MAVPFVEDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMKRAVDCPE...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 4369432
ChEMBL CHEMBL364811