PRANLUKAST

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: R03DC02
UNII: TB8Z891092

Structure
InChI Key NBQKINXMPLXUET-UHFFFAOYSA-N
Smile O=C(Nc1cccc2c(=O)cc(-c3nn[nH]n3)oc12)c1ccc(OCCCCc2ccccc2)cc1
InChI
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H23N5O4
Molecular Weight 481.51
AlogP 4.63
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 123.0
Molecular species ACID
Aromatic Rings 5.0
Heavy Atoms 36.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Cysteinyl leukotriene receptor 1 antagonist PubMed PubMed PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 40
Enzyme Protease Cysteine protease Cysteine protease CA clan Cysteine protease C1A family
- 7000-68000 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) Leukotriene receptor
- 1-4 1 1-1 -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group H Nuclear hormone receptor subfamily 1 group H member 4
15000 - - - -
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 2970 - - -
Transporter Primary active transporter ATP-binding cassette ABCC subfamily
- 2700 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Sinusitis 3 D012852 ClinicalTrials
Rhinitis, Allergic, Seasonal 3 D006255 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 94810
ChEMBL CHEMBL21333
DrugBank DB01411
DrugCentral 2237
EPA CompTox DTXSID3043782
FDA SRS TB8Z891092
Guide to Pharmacology 3634
PDB KNT
PubChem 4887
SureChEMBL SCHEMBL18058592
ZINC ZINC000001542146
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