Therapeutic Targets Database
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TTD Drug ID: DCL000307

Drug Information
NameMK-591
SynonymsCHEMBL16596; C078266; Quiflapon [INN]; 2CS; 1H-Indole-2-propanoic acid, 1-((4-chlorophenyl)methyl)-3-((1,1-dimethylethyl)thio)-alpha,alpha-dimethyl-5-(2-quinolinylmethoxy)-; L-686,708; LS-187285; Quiflapon; LS-172970; MK 0591; 3-(tert-butylthio)-1-(p-chlorobenzyl)-a,a-dimethyl-5-(2-quinolylmethoxy)indole-2-propionic acid; 136668-42-3; 3-(1-(4-chlorobenzyl-3-(t-butylthio)-5-(quinolin-2-ylmethoxy)indol-2-yl))-2,2-dimethyl propanoic acid; MK 591; AC1L1U63; C34H34ClN2O3S.Na; MK-0591; MK-591; CHEBI:117620; CID60923; AC1Q5RPF; L-686708; 3-(tert-Butylthio)-1-(p-chlorobenzyl)-alpha,alpha-dimethyl-5-(2-quinolylmethoxy)indole-2-propionic acid; L 686708; 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid
CompanyMerck
IndicationUlcerative ColitisDiscontinued in Phase II    
Structure

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InChI1S/C34H35ClN2O3S/c1-33(2,3)41-31-27-18-26(40-21-25-15-12-23-8-6-7
-9-28(23)36-25)16-17-29(27)37(20-22-10-13-24(35)14-11-22)30(31)19
-34(4,5)32(38)39/h6-18H,19-21H2,1-5H3,(H,38,39)
InChIKeyNZOONKHCNQFYCI-UHFFFAOYSA-N
Canonical SMILESCC(C)(C)SC1=C(N(C2=C1C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)CC5=CC=C(C=C5)Cl)CC
(C)(C)C(=O)O    
CAS NumberCAS 136668-42-3
PubChem Compound IDCID 60923.
PubChem Substance IDSID 698713.
TargetArachidonate 5-lipoxygenaseInhibitor[1][2]
Ref 1Antileukotriene therapy for asthma. Am J Health Syst Pharm. 1996 Dec 1;53(23):2821-30; quiz 2877-8. To Reference
Ref 2Inhibition of antigen-induced contraction of guinea-pig airways by a leukotriene synthesis inhibitor, BAY x1005. Eur J Pharmacol. 1994 Jun 2;258(1-2):95-102. To Reference



 

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