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Ligand

NameCHEMBL1813281
Molecular formulaC30H29FN2O5
IUPAC name2-[1-[2,5-dimethyl-4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]-5-fluoro-2-methylindol-3-yl]acetic acid
Molecular weight516.569
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.8
SynonymsSCHEMBL5645977
BDBM50350358
Inchi KeyWADCAGDHUSSNBY-NRFANRHFSA-N
Inchi IDInChI=1S/C30H29FN2O5/c1-17-12-28(37-16-21-15-32(4)26-7-5-6-8-27(26)38-21)18(2)11-22(17)30(36)33-19(3)23(14-29(34)35)24-13-20(31)9-10-25(24)33/h5-13,21H,14-16H2,1-4H3,(H,34,35)/t21-/m0/s1
PubChem CID56681898
ChEMBLCHEMBL1813281
IUPHARN/A
BindingDB50350358
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
368444Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
368445Prostaglandin D2 receptorP70263PtgdrMus musculus (Mouse)357

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