Drug Information
| 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 | [1] | ||
| Company |
Merck
|
||||
| Structure |
|
Download2D 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 | [2], [3] | |
| 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 1 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800001712) | ||||
| REF 2 | Inhibition 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 3 | Antileukotriene therapy for asthma. Am J Health Syst Pharm. 1996 Dec 1;53(23):2821-30; quiz 2877-8. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.