W11

3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE

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is present as a standalone ligand in 9 entries

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Chemical Component Summary
Name	3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE
Synonyms	WIN63843
Identifiers	3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
Formula	C₁₈ H₁₈ F₃ N₃ O₃
Molecular Weight	381.349
Type	NON-POLYMER
Isomeric SMILES	Cc1cc(cc(c1OCCCc2cc(no2)C)C)c3nc(on3)C(F)(F)F
InChI	InChI=1S/C18H18F3N3O3/c1-10-7-13(16-22-17(27-24-16)18(19,20)21)8-11(2)15(10)25-6-4-5-14-9-12(3)23-26-14/h7-9H,4-6H2,1-3H3
InChIKey	KQOXLKOJHVFTRN-UHFFFAOYSA-N

Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	0
Bond Count	47
Aromatic Bond Count	17

Drug Info: DrugBank

DrugBank ID	DB05105 ?
Name	Pleconaril
Groups	investigational
Description	Pleconaril is an antiviral drug from _viral capsid inhibitor_ class, manufactured by _Schering-Plough_ and intended for the prevention of acute asthma exacerbations and common cold symptoms in asthmatic patients who have had exposure to _picornavirus_. It acts by inhibiting viral replication. The use of pleconaril has not gained approval by the U.S. Food and Drug Administration (FDA) due to the fact that it has been found to induce CYP3A enzyme activity, therefore increasing the risk for serious drug interactions.
Synonyms	Pleconaril
Indication	Investigated for use/treatment in upper respiratory infection.
Categories	Anti-Infective Agents Antiinfectives for Systemic Use Antiviral Agents Antivirals for Systemic Use Common Cold, drug therapy Direct Acting Antivirals Oxazoles
ATC-Code	J05AX06
CAS number	153168-05-9

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Polyprotein	MGAQVSTQKSGSHETGTYATGGSTINYTNINYYKDSYAASASRQDFSQDP...	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