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Ligand

NameCHEMBL2182061
Molecular formulaC27H25N3O4
IUPAC name2-[4-[4-[1-methyl-5-[[(1R)-1-phenylethoxy]carbonylamino]pyrazol-4-yl]phenyl]phenyl]acetic acid
Molecular weight455.514
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.8
SynonymsSCHEMBL12989807
{4'-[1-methyl-5-((R)-1-phenyl-ethoxycarbonylamino)-1H-pyrazol-4-yl]-biphenyl-4-yl}-acetic acid
BDBM50398103
FXNTUWDUBMRIKX-GOSISDBHSA-N
Inchi KeyFXNTUWDUBMRIKX-GOSISDBHSA-N
Inchi IDInChI=1S/C27H25N3O4/c1-18(20-6-4-3-5-7-20)34-27(33)29-26-24(17-28-30(26)2)23-14-12-22(13-15-23)21-10-8-19(9-11-21)16-25(31)32/h3-15,17-18H,16H2,1-2H3,(H,29,33)(H,31,32)/t18-/m1/s1
PubChem CID70819507
ChEMBLCHEMBL2182061
IUPHARN/A
BindingDB50398103
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
89770Lysophosphatidic acid receptor 1Q92633LPAR1Homo sapiens (Human)364
89771Lysophosphatidic acid receptor 3Q9UBY5LPAR3Homo sapiens (Human)353

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