PFQ

2-[(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)AMINO]ETHANOL

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

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Chemical Details

Formal Charge0
Atom Count42
Chiral Atom Count0
Bond Count45
Aromatic Bond Count24
2D diagram of PFQ

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Chemical Component Summary

Name2-[(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)AMINO]ETHANOL
Systematic Name (OpenEye OEToolkits)2-[(5,6-diphenylfuro[3,2-e]pyrimidin-4-yl)amino]ethanol
FormulaC20 H17 N3 O2
Molecular Weight331.368
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04n1c(c2c(nc1)oc(c2c3ccccc3)c4ccccc4)NCCO
SMILESCACTVS3.341OCCNc1ncnc2oc(c3ccccc3)c(c4ccccc4)c12
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCCO
Canonical SMILESCACTVS3.341 OCCNc1ncnc2oc(c3ccccc3)c(c4ccccc4)c12
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCCO
InChIInChI1.03 InChI=1S/C20H17N3O2/c24-12-11-21-19-17-16(14-7-3-1-4-8-14)18(15-9-5-2-6-10-15)25-20(17)23-13-22-19/h1-10,13,24H,11-12H2,(H,21,22,23)
InChIKeyInChI1.03 UQHINZSKNAAVOZ-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB08393 
Name2-[(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)AMINO]ETHANOL
Groups experimental
Synonyms2-[(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)AMINO]ETHANOL

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 1587957
ChEMBL CHEMBL189434