Drug Details

General Information of the Drug (ID: DR4671)
Name
Zafirlukast
Synonyms
zafirlukast; 107753-78-6; Accolate; Olmoran; ICI-204219; Cyclopentyl (3-(2-methoxy-4-((o-tolylsulfonyl)carbamoyl)benzyl)-1-methyl-1H-indol-5-yl)carbamate; Accoleit; ICI 204219; ICI 204,219; C31H33N3O6S; UNII-XZ629S5L50; Cyclopentyl 3-(2-methoxy-4-((o-tolylsulfonyl)carbamoyl)benzyl)-1-methylindole-5-carbamate; Zafirlukast (Accolate); CHEMBL603; Aeronix; CHEBI:10100; XZ629S5L50; MFCD00864775; 4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol-3-ylmethyl)-3-methoxy-N-o-tolylsulfonylbenzamide; NCGC00164547-01; NCGC00164547-06; Vanticon; DSSTox_CID_3746; DSSTox_RID_77181; DSSTox_GSID_23746; cyclopentyl 3-[2-methoxy-4-(2-methylphenylsulfonylcarbamoyl)benzyl]-1-methyl-1H-indol-5-ylcarbamate; Zafirst; Respix; Accolate (TN); Cyclopentyl 3-{2-methoxy-4-[(o-tolylsulfonyl)carbamoyl]benzyl}-1-methyl-1H-indol-5-ylcarbamate; cyclopentyl N-{3-[(2-methoxy-4-{[(2-methylbenzene)sulfonyl]carbamoyl}phenyl)methyl]-1-methyl-1H-indol-5-yl}carbamate; N-[3-[[2-Methoxy-4-[[[(2-methylphenyl)sulfonyl]amino]carbonyl]phenyl]methyl]-1-methyl-1H-indol-5-yl]carbamic Acid Cyclopentyl Ester; SMR000466316; CAS-107753-78-6; SR-01000759386; Zafirlucast; Zafirlukast (JAN/USAN/INN); Zafirlukast [USAN:INN:BAN]; Zafirlukast(Accolate); PubChem18223; CPD000466316; ACMC-209wlw; cc-92; SCHEMBL4175; Carbamic acid, (3-((2-methoxy-4-((((2-methylphenyl)sulfonyl)amino)carbonyl)phenyl)methyl)-1-methyl-1H-indol-5-yl)-, cyclopentyl ester; MLS000759421; MLS001424064; MLS006011771; BIDD:GT0267; GTPL3322; DTXSID5023746; Zafirlukast, >=98% (HPLC); HMS2051F12; HMS2089J10; HMS3393F12; HMS3650A04; HMS3655E13; HMS3713J08; HMS3745K03; ZINC896717; BCP05226; Tox21_112176; ANW-46530; BDBM50009073; s1633; STK646780; AKOS005577888; Tox21_112176_1; AC-9018; CCG-101025; DB00549; MCULE-2053856450; NC00275; SB19079; NCGC00164547-02; NCGC00164547-03; NCGC00164547-04; NCGC00164547-05; AS-12943; cyclopentyl (1-methyl-3-{[2-(methyloxy)-4-({[(2-methylphenyl)sulfonyl]amino}carbonyl)phenyl]methyl}-1H-indol-5-yl)carbamate; cyclopentyl [3-(2-methoxy-4-{[(2-methylphenyl)sulfonyl]carbamoyl}benzyl)-1-methyl-1H-indol-5-yl]carbamate; cyclopentyl N-[3-[[2-methoxy-4-(o-tolylsulfonylcarbamoyl)phenyl]methyl]-1-methyl-indol-5-yl]carbamate; HY-17492; AB0012638; FT-0601575; MLS000759421-02; SW197655-3; C07206; D00411; 32256-EP2270008A1; 32256-EP2280006A1; 32256-EP2281813A1; 32256-EP2281815A1; 32256-EP2281819A1; 32256-EP2284166A1; 32256-EP2292617A1; 32256-EP2292619A1; 32256-EP2295409A1; 32256-EP2298415A1; 32256-EP2301933A1; 32256-EP2305640A2; 32256-EP2305659A1; 32256-EP2308562A2; 32256-EP2311818A1; 32256-EP2311827A1; AB00639922-06; AB00639922-08; AB00639922_09; 753Z786; A801752; L001011; Q928378; Q-201940; SR-01000759386-4; SR-01000759386-5; SR-01000759386-9; BRD-K71289571-001-06-4; Z1551429730; Cyclopentyl (3-(2-methoxy-4-((o-tolylsulfonyl)-carbamoyl)benzyl)-1-methyl-1H-indol-5-yl)carbamate; cyclopentyl 3-(2-methoxy-4-(o-tolylsulfonylcarbamoyl)benzyl)-1-methyl-1H-indol-5-ylcarbamate; cyclopentyl N-[3-({2-methoxy-4-[(2-methylbenzenesulfonyl)carbamoyl]phenyl}methyl)-1-methyl-1H-indol-5-yl]carbamate; cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methyl-indol-5-yl]carbamate; Cyclopentyl N-[3-[[2-Methoxy-4-[[[(2-methylphenyl)sulfonyl]amino]carbonyl]phenyl]methyl]-1-methyl-1H-indol-5-yl]carbamate; N-[3-[[2-methoxy-4-[[(2-methylphenyl)sulfonylamino]-oxomethyl]phenyl]methyl]-1-methyl-5-indolyl]carbamic acid cyclopentyl ester; ZLK
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Molecular Type
Small molecule
Disease Asthma [ICD-11: CA23] Approved [1]
Structure
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2D MOL

3D MOL

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Formula
C31H33N3O6S
PubChem CID
5717
Canonical SMILES
CC1=CC=CC=C1S(=O)(=O)NC(=O)C2=CC(=C(C=C2)CC3=CN(C4=C3C=C(C=C4)NC(=O)OC5CCCC5)C)OC
InChI
1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)
InChIKey
YEEZWCHGZNKEEK-UHFFFAOYSA-N
CAS Number
CAS 107753-78-6
ChEBI ID
CHEBI:10100
TTD Drug ID
D05DVP
DrugBank ID
DB00549
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Natural Product(s) Able to Decrease the Adverse Effect of This Drug
          Vincamine      Vinca minor     Click to Show/Hide the Molecular Data of This NP
                 Decreasing Adverse Drug Reaction     Click to Show/Hide
                    Representative Experiment Reporting the Effect of This Combination [2]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    Molecule(s)
                    Regulation		 Down-regulation Expression CASP3  Molecule Info 
Pathway MAP
Down-regulation Phosphorylation ERK1  Molecule Info 
Pathway MAP
Down-regulation Phosphorylation JNK1  Molecule Info 
Pathway MAP
Down-regulation Expression p105  Molecule Info 
Pathway MAP
                    In-vivo Model Adult female Wistar albino rats were used in this study.
                    Experimental
                    Result(s)		 Zafirlukast and vincamine may be regarded as potential therapeutic strategies with antioxidant and anti-inflammatory activities against tamoxifen-induced oxidative damage in rat liver.
Target and Pathway
Target(s) Leukotriene CysLT1 receptor (CYSLTR1)  Molecule Info  [3]
KEGG Pathway Calcium signaling pathway Click to Show/Hide
2 Neuroactive ligand-receptor interaction
NetPath Pathway TGF_beta_Receptor Signaling Pathway Click to Show/Hide
2 IL4 Signaling Pathway
3 IL3 Signaling Pathway
Pathway Interaction Database Endothelins Click to Show/Hide
Reactome Leukotriene receptors Click to Show/Hide
2 G alpha (q) signalling events
WikiPathways GPCRs, Class A Rhodopsin-like Click to Show/Hide
2 Gastrin-CREB signalling pathway via PKC and MAPK
3 GPCR ligand binding
4 GPCR downstream signaling
References
Reference 1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 3322).
Reference 2 Zafirlukast and vincamine ameliorate tamoxifen-induced oxidative stress and inflammation: Role of the JNK/ERK pathway. Life Sci. 2018 Jun 1;202:78-88.
Reference 3 Inhibitory effects of zafirlukast on respiratory bursts of human neutrophils. Drugs Exp Clin Res. 2002;28(4):133-45.
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