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Ligand

NameCHEMBL2182024
Molecular formulaC25H27N3O4
IUPAC name1-[4-[4-[5-[[(2R)-butan-2-yl]oxycarbonylamino]-1-methylpyrazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
Molecular weight433.508
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.5
SynonymsSCHEMBL17077080
BQNLUASQEMLEMB-MRXNPFEDSA-N
BDBM50398126
(R)-1-{4'-[5-(sec-butoxycarbonylamino)-1-methyl-1H-pyrazol-4-yl]-biphenyl-4-yl}-cyclopropanecarboxylic acid
Inchi KeyBQNLUASQEMLEMB-MRXNPFEDSA-N
Inchi IDInChI=1S/C25H27N3O4/c1-4-16(2)32-24(31)27-22-21(15-26-28(22)3)19-7-5-17(6-8-19)18-9-11-20(12-10-18)25(13-14-25)23(29)30/h5-12,15-16H,4,13-14H2,1-3H3,(H,27,31)(H,29,30)/t16-/m1/s1
PubChem CID71462859
ChEMBLCHEMBL2182024
IUPHARN/A
BindingDB50398126
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
30464Lysophosphatidic acid receptor 1Q92633LPAR1Homo sapiens (Human)364
442851Lysophosphatidic acid receptor 3Q9UBY5LPAR3Homo sapiens (Human)353

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