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Ligand

NameCHEMBL2182045
Molecular formulaC25H28N4O4
IUPAC name1-[4-[4-[1-methyl-5-[[(2R)-3-methylbutan-2-yl]oxycarbonylamino]triazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
Molecular weight448.523
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.5
SynonymsSCHEMBL16700049
GTLJBSMYSBXGGC-MRXNPFEDSA-N
BDBM50398112
1-{4'-[5-((R)-1,2-dimethyl-propoxycarbonylamino)-1-methyl-1H-[1,2,3]triazol-4-yl]-biphenyl-4-yl}-cyclopropanecarboxylic acid
Inchi KeyGTLJBSMYSBXGGC-MRXNPFEDSA-N
Inchi IDInChI=1S/C25H28N4O4/c1-15(2)16(3)33-24(32)26-22-21(27-28-29(22)4)19-7-5-17(6-8-19)18-9-11-20(12-10-18)25(13-14-25)23(30)31/h5-12,15-16H,13-14H2,1-4H3,(H,26,32)(H,30,31)/t16-/m1/s1
PubChem CID71457479
ChEMBLCHEMBL2182045
IUPHARN/A
BindingDB50398112
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
104952Lysophosphatidic acid receptor 1Q92633LPAR1Homo sapiens (Human)364
104953Lysophosphatidic acid receptor 3Q9UBY5LPAR3Homo sapiens (Human)353

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