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Ligand

NameCHEMBL3885415
Molecular formulaC25H23NO2S
IUPAC name2-[3-[[7-(2-ethylphenyl)-1-benzothiophen-2-yl]methylamino]phenyl]acetic acid
Molecular weight401.524
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP6.3
SynonymsBDBM50209023
Inchi KeyDQEIXFLEOVOQHX-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H23NO2S/c1-2-18-8-3-4-11-22(18)23-12-6-9-19-15-21(29-25(19)23)16-26-20-10-5-7-17(13-20)14-24(27)28/h3-13,15,26H,2,14,16H2,1H3,(H,27,28)
PubChem CID134131209
ChEMBLCHEMBL3885415
IUPHARN/A
BindingDB50209023
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
548673Sphingosine 1-phosphate receptor 4O95977S1PR4Homo sapiens (Human)384
548672Sphingosine 1-phosphate receptor 5Q9H228S1PR5Homo sapiens (Human)398

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