KNT

pranlukast

Created: 2019-06-12
Last modified:  2019-10-30

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Chemical Details

Formal Charge0
Atom Count59
Chiral Atom Count0
Bond Count63
Aromatic Bond Count23
2D diagram of KNT
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Chemical Component Summary

Namepranlukast
Systematic Name (OpenEye OEToolkits)~{N}-[4-oxidanylidene-2-(1~{H}-1,2,3,4-tetrazol-5-yl)chromen-8-yl]-4-(4-phenylbutoxy)benzamide
FormulaC27 H23 N5 O4
Molecular Weight481.503
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385O=C(Nc1cccc2C(=O)C=C(Oc12)c3[nH]nnn3)c4ccc(OCCCCc5ccccc5)cc4
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)CCCCOc2ccc(cc2)C(=O)Nc3cccc4c3OC(=CC4=O)c5[nH]nnn5
Canonical SMILESCACTVS3.385 O=C(Nc1cccc2C(=O)C=C(Oc12)c3[nH]nnn3)c4ccc(OCCCCc5ccccc5)cc4
Canonical SMILESOpenEye OEToolkits2.0.7 c1ccc(cc1)CCCCOc2ccc(cc2)C(=O)Nc3cccc4c3OC(=CC4=O)c5[nH]nnn5
InChIInChI1.03 InChI=1S/C27H23N5O4/c33-23-17-24(26-29-31-32-30-26)36-25-21(23)10-6-11-22(25)28-27(34)19-12-14-20(15-13-19)35-16-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,10-15,17H,4-5,9,16H2,(H,28,34)(H,29,30,31,32)
InChIKeyInChI1.03 NBQKINXMPLXUET-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB01411 
NamePranlukast
Groups investigational
DescriptionPranlukast is a cysteinyl leukotriene receptor-1 antagonist. It antagonizes or reduces bronchospasm caused, principally in asthmatics, by an allergic reaction to accidentally or inadvertently encountered allergens.
Synonyms
  • Pranlukast hydrate
  • Pranlukast
IndicationUsed as an adjunct to the standard therapy of inhaled steroids with inhaled long- and/or short-acting beta-agonists.
Categories
  • Agents to Treat Airway Disease
  • Anti-Asthmatic Agents
  • Benzopyrans
  • Cytochrome P-450 CYP2C9 Inhibitors
  • Cytochrome P-450 CYP2C9 Inhibitors (strength unknown)
ATC-CodeR03DC02
CAS number103177-37-3

Drug Targets

NameTarget SequencePharmacological ActionActions
Cysteinyl leukotriene receptor 1MDETGNLTVSSATCHDTIDDFRNQVYSTLYSMISVVGFFGNGFVLYVLIK...unknownantagonist
Tumor necrosis factorMSTESMIRDVELAEEALPKKTGGPQGSRRCLFLSLFSFLIVAGATTLFCL...unknownother/unknown
Interleukin-5MRMLLHLSLLALGAAYVYAIPTEIPTSALVKETLALLSTHRTLLIANETL...unknownantagonist
Eosinophil cationic proteinMVPKLFTSQICLLLLLGLMGVEGSLHARPPQFTRAQWFAIQHISLNPPRC...unknownother/unknown
Nuclear factor NF-kappa-B p105 subunitMAEDDPYLGRPEQMFHLDPSLTHTIFNPEVFQPQMALPTDGPYLQILEQP...unknownother/unknown
View More
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

Related Resource References

Resource NameReference
Pharos CHEMBL21333
PubChem 4887
ChEMBL CHEMBL21333
ChEBI CHEBI:94810