PRANLUKAST

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC R03DC02
UNII TB8Z891092
EPA CompTox DTXSID3043782

Structure

InChI Key NBQKINXMPLXUET-UHFFFAOYSA-N
Smiles O=C(Nc1cccc2c(=O)cc(-c3nnn[nH]3)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

Mechanism of Action Action Reference
Cysteinyl leukotriene receptor 1 antagonist ANTAGONIST PubMed PubMed PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 40
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) Leukotriene receptor
- 0.044-4.4 1 0.8-0.8 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- 0.044-1 1 0.8-0.8 50.1-100
Homo sapiens
- 0.8-4.4 - - 40

Target Conservation

Protein: Cysteinyl leukotriene receptor 1
Description: Cysteinyl leukotriene receptor 1
Organism : Homo sapiens
Q9Y271 ENSG00000173198

Cross References

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