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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1 entries where DFY is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	0
Bond Count	48
Aromatic Bond Count	24

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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
Formula	C₂₁ H₁₉ N₃ O₂
Molecular Weight	345.394
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n1c(c2c(nc1)oc(c2c3ccccc3)c4ccccc4)N(CCO)C
SMILES	CACTVS	3.341	CN(CCO)c1ncnc2oc(c3ccccc3)c(c4ccccc4)c12
SMILES	OpenEye OEToolkits	1.5.0	CN(CCO)c1c2c(c(oc2ncn1)c3ccccc3)c4ccccc4
Canonical SMILES	CACTVS	3.341	CN(CCO)c1ncnc2oc(c3ccccc3)c(c4ccccc4)c12
Canonical SMILES	OpenEye OEToolkits	1.5.0	CN(CCO)c1c2c(c(oc2ncn1)c3ccccc3)c4ccccc4
InChI	InChI	1.03	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
InChIKey	InChI	1.03	VDJWWYRYKMXMKA-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB07654
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

Name	Target Sequence	Pharmacological Action	Actions
Serine/threonine-protein kinase Chk1	MAVPFVEDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMKRAVDCPE...	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