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Ligand

NameCHEMBL1915669
Molecular formulaC27H24N2O5
IUPAC name2-[1-[4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]indol-4-yl]acetic acid
Molecular weight456.498
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.6
SynonymsBDBM50357625
SCHEMBL990959
Inchi KeyBTHUBRJFQVQARS-NRFANRHFSA-N
Inchi IDInChI=1S/C27H24N2O5/c1-28-16-21(34-25-8-3-2-6-24(25)28)17-33-20-11-9-18(10-12-20)27(32)29-14-13-22-19(15-26(30)31)5-4-7-23(22)29/h2-14,21H,15-17H2,1H3,(H,30,31)/t21-/m0/s1
PubChem CID10139183
ChEMBLCHEMBL1915669
IUPHARN/A
BindingDB50357625
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
32351Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
32352Prostaglandin D2 receptorP70263PtgdrMus musculus (Mouse)357

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