Drug General Information
Drug ID
D0M0QX
Former ID
DCL000307
Drug Name
MK-591
Synonyms
Quiflapon; Quiflapon [INN]; L 686708; MK 0591; MK 591; L-686708; MK-0591; L-686,708; 3-(1-(4-chlorobenzyl-3-(t-butylthio)-5-(quinolin-2-ylmethoxy)indol-2-yl))-2,2-dimethyl propanoic acid; 3-(tert-Butylthio)-1-(p-chlorobenzyl)-alpha,alpha-dimethyl-5-(2-quinolylmethoxy)indole-2-propionic acid; 3-(tert-butylthio)-1-(p-chlorobenzyl)-a,a-dimethyl-5-(2-quinolylmethoxy)indole-2-propionic acid; 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid
Drug Type
Small molecular drug
Indication Asthma [ICD10:J45] Discontinued in Phase 2 [544955]
Company
Merck
Structure
Download
2D MOL

3D MOL

Formula
C34H35ClN2O3S
Canonical SMILES
CC(C)(C)SC1=C(N(C2=C1C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)CC5<br />=CC=C(C=C5)Cl)CC(C)(C)C(=O)O
InChI
1S/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)
InChIKey
NZOONKHCNQFYCI-UHFFFAOYSA-N
CAS Number
CAS 136668-42-3
PubChem Compound ID
PubChem Substance ID
Target and Pathway
Target(s) Arachidonate 5-lipoxygenase Target Info Inhibitor [537895], [538006]
BioCyc Pathway Aspirin-triggered lipoxin biosynthesis
Resolvin D biosynthesis
Leukotriene biosynthesis
Lipoxin biosynthesis
Aspirin triggered resolvin D biosynthesis
Aspirin triggered resolvin E biosynthesis
KEGG Pathway Arachidonic acid metabolism
Metabolic pathways
Serotonergic synapse
Ovarian steroidogenesis
Toxoplasmosis
NetPath Pathway IL4 Signaling Pathway
PathWhiz Pathway Arachidonic Acid Metabolism
WikiPathways Vitamin D Receptor Pathway
Arachidonic acid metabolism
Eicosanoid Synthesis
Selenium Micronutrient Network
References
Ref 544955Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800001712)
Ref 537895Inhibition 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.
Ref 538006Antileukotriene therapy for asthma. Am J Health Syst Pharm. 1996 Dec 1;53(23):2821-30; quiz 2877-8.

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