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Ligand

NameCHEMBL1819623
Molecular formulaC25H22ClFN2O5
IUPAC name2-[3-[[2-chloro-4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]-4-fluorophenyl]acetic acid
Molecular weight484.908
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.5
SynonymsSCHEMBL2189227
BDBM50351484
Inchi KeyNYJIUFYVDCEUIV-KRWDZBQOSA-N
Inchi IDInChI=1S/C25H22ClFN2O5/c1-29-13-17(34-23-5-3-2-4-22(23)29)14-33-16-7-8-18(19(26)12-16)25(32)28-21-10-15(11-24(30)31)6-9-20(21)27/h2-10,12,17H,11,13-14H2,1H3,(H,28,32)(H,30,31)/t17-/m0/s1
PubChem CID56672020
ChEMBLCHEMBL1819623
IUPHARN/A
BindingDB50351484
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: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
235043Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
235041Prostaglandin D2 receptorP70263PtgdrMus musculus (Mouse)357
235044Prostaglandin E2 receptor EP1 subtypeP35375Ptger1Mus musculus (Mouse)405
235040Prostaglandin E2 receptor EP2 subtypeQ62053Ptger2Mus musculus (Mouse)362
235037Prostaglandin E2 receptor EP3 subtypeP30557Ptger3Mus musculus (Mouse)365
235038Prostaglandin E2 receptor EP4 subtypeP32240Ptger4Mus musculus (Mouse)513
235042Prostaglandin F2-alpha receptorP43117PtgfrMus musculus (Mouse)366
235039Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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