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Ligand

NameCHEMBL2182033
Molecular formulaC25H28N4O4
IUPAC name1-[4-[4-[4-methyl-5-[[(2R)-3-methylbutan-2-yl]oxycarbonylamino]triazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
Molecular weight448.523
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.9
Synonyms1-{4'-[5-((R)-1,2-dimethyl-propoxycarbonylamino)-4-methyl-[1,2,3]triazol-1-yl]-biphenyl-4-yl}-cyclopropanecarboxylic acid
BDBM50398120
KXBWERIALIAZGM-QGZVFWFLSA-N
SCHEMBL16697517
Inchi KeyKXBWERIALIAZGM-QGZVFWFLSA-N
Inchi IDInChI=1S/C25H28N4O4/c1-15(2)17(4)33-24(32)26-22-16(3)27-28-29(22)21-11-7-19(8-12-21)18-5-9-20(10-6-18)25(13-14-25)23(30)31/h5-12,15,17H,13-14H2,1-4H3,(H,26,32)(H,30,31)/t17-/m1/s1
PubChem CID71462861
ChEMBLCHEMBL2182033
IUPHARN/A
BindingDB50398120
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
180347Lysophosphatidic acid receptor 1Q92633LPAR1Homo sapiens (Human)364
180346Lysophosphatidic acid receptor 3Q9UBY5LPAR3Homo sapiens (Human)353

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