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Ligand

NameCHEMBL1819614
Molecular formulaC26H25ClN2O5
IUPAC name2-[4-chloro-3-[[2-methyl-4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]phenyl]acetic acid
Molecular weight480.945
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.8
SynonymsBDBM50351489
SCHEMBL2193218
Inchi KeyJQMYGQPTFIVYCP-IBGZPJMESA-N
Inchi IDInChI=1S/C26H25ClN2O5/c1-16-11-18(33-15-19-14-29(2)23-5-3-4-6-24(23)34-19)8-9-20(16)26(32)28-22-12-17(13-25(30)31)7-10-21(22)27/h3-12,19H,13-15H2,1-2H3,(H,28,32)(H,30,31)/t19-/m0/s1
PubChem CID56675399
ChEMBLCHEMBL1819614
IUPHARN/A
BindingDB50351489
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
157437Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
157438Prostaglandin D2 receptorP70263PtgdrMus musculus (Mouse)357

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