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Ligand

NameCHEMBL3401688
Molecular formulaC31H35NO6
IUPAC name4-(3-carboxypropyl)-8-[2-[4-(4-phenylbutoxy)phenyl]ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
Molecular weight517.622
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP6.1
SynonymsBDBM50066909
SCHEMBL3094305
Inchi KeyVPFOHIYIIWYFQD-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H35NO6/c33-29(34)13-7-20-32-22-28(31(35)36)38-30-25(11-6-12-27(30)32)17-14-24-15-18-26(19-16-24)37-21-5-4-10-23-8-2-1-3-9-23/h1-3,6,8-9,11-12,15-16,18-19,28H,4-5,7,10,13-14,17,20-22H2,(H,33,34)(H,35,36)
PubChem CID23124707
ChEMBLCHEMBL3401688
IUPHARN/A
BindingDB50066909
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
455997Cysteinyl leukotriene receptor 1Q9Y271CYSLTR1Homo sapiens (Human)337
455996Cysteinyl leukotriene receptor 2Q9NS75CYSLTR2Homo sapiens (Human)346

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