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Ligand

NameCHEMBL1095769
Molecular formulaC32H39NO4
IUPAC name3-[4-[(2,4-dimethylphenoxy)methyl]-2-[[(1R)-1-(3,5-dimethylphenyl)-3-methylbutyl]carbamoyl]phenyl]propanoic acid
Molecular weight501.667
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP7.1
SynonymsBDBM50317894
SCHEMBL4476547
3-[4-[(2,4-Dimethylphenoxy)methyl]-2-({[(1R)-1-(3,5-dimethylphenyl)-3-methylbutyl]amino}carbonyl)phenyl]-propanoic acid
Inchi KeyCYIIEWIFYTVIKR-GDLZYMKVSA-N
Inchi IDInChI=1S/C32H39NO4/c1-20(2)13-29(27-16-22(4)14-23(5)17-27)33-32(36)28-18-25(8-9-26(28)10-12-31(34)35)19-37-30-11-7-21(3)15-24(30)6/h7-9,11,14-18,20,29H,10,12-13,19H2,1-6H3,(H,33,36)(H,34,35)/t29-/m1/s1
PubChem CID10345923
ChEMBLCHEMBL1095769
IUPHARN/A
BindingDB50317894
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
53537Prostaglandin E2 receptor EP1 subtypeP35375Ptger1Mus musculus (Mouse)405
53538Prostaglandin E2 receptor EP2 subtypeQ62053Ptger2Mus musculus (Mouse)362
53535Prostaglandin E2 receptor EP3 subtypeP30557Ptger3Mus musculus (Mouse)365
53536Prostaglandin E2 receptor EP4 subtypeP32240Ptger4Mus musculus (Mouse)513

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