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Ligand

NameCHEMBL1819619
Molecular formulaC26H25ClN2O5
IUPAC name2-[3-[[2-chloro-4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]-4-methylphenyl]acetic acid
Molecular weight480.945
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.8
SynonymsBDBM50351494
SCHEMBL2190999
Inchi KeyVJRYDTORUXFXST-IBGZPJMESA-N
Inchi IDInChI=1S/C26H25ClN2O5/c1-16-7-8-17(12-25(30)31)11-22(16)28-26(32)20-10-9-18(13-21(20)27)33-15-19-14-29(2)23-5-3-4-6-24(23)34-19/h3-11,13,19H,12,14-15H2,1-2H3,(H,28,32)(H,30,31)/t19-/m0/s1
PubChem CID56682059
ChEMBLCHEMBL1819619
IUPHARN/A
BindingDB50351494
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
356767Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
356768Prostaglandin D2 receptorP70263PtgdrMus musculus (Mouse)357

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