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Ligand

NameCHEMBL1813279
Molecular formulaC29H27FN2O6
IUPAC name2-[5-fluoro-1-[3-methoxy-4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]-2-methylindol-3-yl]acetic acid
Molecular weight518.541
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP5.1
SynonymsBDBM50350356
SCHEMBL5644012
Inchi KeyOEQZRFMZVOYSAY-FQEVSTJZSA-N
Inchi IDInChI=1S/C29H27FN2O6/c1-17-21(14-28(33)34)22-13-19(30)9-10-23(22)32(17)29(35)18-8-11-26(27(12-18)36-3)37-16-20-15-31(2)24-6-4-5-7-25(24)38-20/h4-13,20H,14-16H2,1-3H3,(H,33,34)/t20-/m0/s1
PubChem CID56678560
ChEMBLCHEMBL1813279
IUPHARN/A
BindingDB50350356
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
239377Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
239378Prostaglandin D2 receptorP70263PtgdrMus musculus (Mouse)357

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