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Ligand

NameCHEMBL17973
Molecular formulaC20H19N5O2
IUPAC name3-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]isoquinoline
Molecular weight361.405
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.5
Synonyms3-[3-[3-(1H-Tetrazol-5-yl)propoxy]phenoxymethyl]isoquinoline
SCHEMBL14021505
Inchi KeyCAYSUEBRIJHKLP-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H19N5O2/c1-2-6-16-13-21-17(11-15(16)5-1)14-27-19-8-3-7-18(12-19)26-10-4-9-20-22-24-25-23-20/h1-3,5-8,11-13H,4,9-10,14H2,(H,22,23,24,25)
PubChem CID14650370
ChEMBLCHEMBL17973
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
37633Cysteinyl leukotriene receptor 1Q2NNR5CYSLTR1Cavia porcellus (Guinea pig)340

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