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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2 entries where PFQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	0
Bond Count	45
Aromatic Bond Count	24

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Chemical Component Summary
Name	2-[(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
Formula	C₂₀ H₁₇ N₃ O₂
Molecular Weight	331.368
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n1c(c2c(nc1)oc(c2c3ccccc3)c4ccccc4)NCCO
SMILES	CACTVS	3.341	OCCNc1ncnc2oc(c3ccccc3)c(c4ccccc4)c12
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCCO
Canonical SMILES	CACTVS	3.341	OCCNc1ncnc2oc(c3ccccc3)c(c4ccccc4)c12
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCCO
InChI	InChI	1.03	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)
InChIKey	InChI	1.03	UQHINZSKNAAVOZ-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB08393
Name	2-[(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)AMINO]ETHANOL
Groups	experimental
Synonyms	2-[(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)AMINO]ETHANOL

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