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Ligand

NameCHEMBL1915866
Molecular formulaC25H20Cl2F2N2O5
IUPAC name2-[4-chloro-3-[[2-chloro-4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]phenyl]-2,2-difluoroacetic acid
Molecular weight537.341
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP5.8
SynonymsBDBM50357636
SCHEMBL730099
Inchi KeyAWGFVNBSZWQCDL-INIZCTEOSA-N
Inchi IDInChI=1S/C25H20Cl2F2N2O5/c1-31-12-16(36-22-5-3-2-4-21(22)31)13-35-15-7-8-17(19(27)11-15)23(32)30-20-10-14(6-9-18(20)26)25(28,29)24(33)34/h2-11,16H,12-13H2,1H3,(H,30,32)(H,33,34)/t16-/m0/s1
PubChem CID57401554
ChEMBLCHEMBL1915866
IUPHARN/A
BindingDB50357636
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
15993Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
15994Prostaglandin D2 receptorP70263PtgdrMus musculus (Mouse)357

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