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Ligand

NameCHEMBL1813272
Molecular formulaC29H28N2O6
IUPAC name2-[1-[3-methoxy-4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]-2-methylindol-3-yl]acetic acid
Molecular weight500.551
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.0
SynonymsSCHEMBL5645443
BDBM50350375
Inchi KeyMBVBYVCSLLQMCH-FQEVSTJZSA-N
Inchi IDInChI=1S/C29H28N2O6/c1-18-22(15-28(32)33)21-8-4-5-9-23(21)31(18)29(34)19-12-13-26(27(14-19)35-3)36-17-20-16-30(2)24-10-6-7-11-25(24)37-20/h4-14,20H,15-17H2,1-3H3,(H,32,33)/t20-/m0/s1
PubChem CID10300616
ChEMBLCHEMBL1813272
IUPHARN/A
BindingDB50350375
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
201698Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
201697Prostaglandin D2 receptorP70263PtgdrMus musculus (Mouse)357

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