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Ligand

NameCHEMBL247959
Molecular formulaC21H23ClN2O5S
IUPAC name3-[[4-[4-[1-(2-chlorocyclopenten-1-yl)ethoxycarbonylamino]-1,2-oxazol-3-yl]phenyl]methylsulfanyl]propanoic acid
Molecular weight450.934
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.2
SynonymsSCHEMBL4023831
BDBM50211650
3-(4-(4-((1-(2-chlorocyclopent-1-enyl)ethoxy)carbonyl)isoxazol-3-yl)benzylthio)propanoic acid
Inchi KeyRXTLJHATTIUSHW-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H23ClN2O5S/c1-13(16-3-2-4-17(16)22)29-21(27)23-18-11-28-24-20(18)15-7-5-14(6-8-15)12-30-10-9-19(25)26/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,23,27)(H,25,26)
PubChem CID11316893
ChEMBLCHEMBL247959
IUPHARN/A
BindingDB50211650
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
307705Lysophosphatidic acid receptor 1Q92633LPAR1Homo sapiens (Human)364
307706Lysophosphatidic acid receptor 1P61794Lpar1Rattus norvegicus (Rat)364

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