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Ligand

NameCHEMBL246928
Molecular formulaC22H21ClN2O5S
IUPAC name3-[[4-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-1,2-oxazol-5-yl]phenyl]methylsulfanyl]propanoic acid
Molecular weight460.929
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.1
Synonyms3-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)isoxazol-5-yl)benzylthio)propanoic acid
3-(4-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-5-isoxazolyl]-benzylsulfanyl)propionic acid
BDBM50211651
BZXVIJFDXYBSIG-UHFFFAOYSA-N
SCHEMBL4022389
Inchi KeyBZXVIJFDXYBSIG-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H21ClN2O5S/c1-14(17-4-2-3-5-18(17)23)29-22(28)25-19-12-24-30-21(19)16-8-6-15(7-9-16)13-31-11-10-20(26)27/h2-9,12,14H,10-11,13H2,1H3,(H,25,28)(H,26,27)
PubChem CID44441080
ChEMBLCHEMBL246928
IUPHARN/A
BindingDB50211651
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
36916Lysophosphatidic acid receptor 1Q92633LPAR1Homo sapiens (Human)364
36917Lysophosphatidic acid receptor 1P61794Lpar1Rattus norvegicus (Rat)364

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