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Ligand

NameCinalukast
Molecular formulaC23H28N2O3S
IUPAC name4-[3-[(E)-2-(4-cyclobutyl-1,3-thiazol-2-yl)ethenyl]anilino]-2,2-diethyl-4-oxobutanoic acid
Molecular weight412.548
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.6
Synonyms5E1O433QAI
CAS-128312-51-6
Cinalukast, ~98% (HPLC)
DTXSID1045742
NCGC00092300-01
[ Show all ]
Inchi KeyBZMKNPGKXJAIDV-VAWYXSNFSA-N
Inchi IDInChI=1S/C23H28N2O3S/c1-3-23(4-2,22(27)28)14-20(26)24-18-10-5-7-16(13-18)11-12-21-25-19(15-29-21)17-8-6-9-17/h5,7,10-13,15,17H,3-4,6,8-9,14H2,1-2H3,(H,24,26)(H,27,28)/b12-11+
PubChem CID6436135
ChEMBLCHEMBL283754
IUPHARN/A
BindingDB50064086
DrugBankDB00587

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
36595Cysteinyl leukotriene receptor 1Q9Y271CYSLTR1Homo sapiens (Human)337
36596Cysteinyl leukotriene receptor 1Q2NNR5CYSLTR1Cavia porcellus (Guinea pig)340

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