FTC

N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-N'-[5-CHLORO-PYRIDYL]-THIOUREA

Created:	2000-01-27
Last modified:	2011-06-04

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2 entries where FTC is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	0
Bond Count	40
Aromatic Bond Count	12

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Chemical Component Summary
Name	N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-N'-[5-CHLORO-PYRIDYL]-THIOUREA
Systematic Name (OpenEye OEToolkits)	1-(5-chloropyridin-2-yl)-3-[2-(4-ethoxy-3-fluoro-pyridin-2-yl)ethyl]thiourea
Formula	C₁₅ H₁₆ Cl F N₄ O S
Molecular Weight	354.83
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	S=C(Nc1ncc(Cl)cc1)NCCc2nccc(OCC)c2F
SMILES	CACTVS	3.341	CCOc1ccnc(CCNC(=S)Nc2ccc(Cl)cn2)c1F
SMILES	OpenEye OEToolkits	1.5.0	CCOc1ccnc(c1F)CCNC(=S)Nc2ccc(cn2)Cl
Canonical SMILES	CACTVS	3.341	CCOc1ccnc(CCNC(=S)Nc2ccc(Cl)cn2)c1F
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCOc1ccnc(c1F)CCNC(=S)Nc2ccc(cn2)Cl
InChI	InChI	1.03	InChI=1S/C15H16ClFN4OS/c1-2-22-12-6-8-18-11(14(12)17)5-7-19-15(23)21-13-4-3-10(16)9-20-13/h3-4,6,8-9H,2,5,7H2,1H3,(H2,19,20,21,23)
InChIKey	InChI	1.03	VEBKSFPYWMOUBR-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB07797
Name	N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-N'-[5-CHLORO-PYRIDYL]-THIOUREA
Groups	experimental
Synonyms	N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-N'-[5-CHLORO-PYRIDYL]-THIOUREA

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Gag-Pol polyprotein	MGARASVLSGGELDRWEKIRLRPGGKKKYKLKHIVWASRELERFAVNPGL...	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