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Ligand

NameCHEMBL245895
Molecular formulaC25H24ClNO4S
IUPAC name3-[[4-[2-[1-(2-chlorophenyl)ethoxycarbonylamino]phenyl]phenyl]methylsulfanyl]propanoic acid
Molecular weight469.98
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.6
SynonymsBDBM50211652
3-{2''-[1-(2-chloro-phenyl)-ethoxycarbonylamino]-biphenyl-4-ylmethylsulfanyl}-propionic acid
Inchi KeyAVXXLUPPYOJIOV-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H24ClNO4S/c1-17(20-6-2-4-8-22(20)26)31-25(30)27-23-9-5-3-7-21(23)19-12-10-18(11-13-19)16-32-15-14-24(28)29/h2-13,17H,14-16H2,1H3,(H,27,30)(H,28,29)
PubChem CID44441086
ChEMBLCHEMBL245895
IUPHARN/A
BindingDB50211652
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
15755Lysophosphatidic acid receptor 1P61794Lpar1Rattus norvegicus (Rat)364
15756Lysophosphatidic acid receptor 1Q92633LPAR1Homo sapiens (Human)364

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