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Ligand

NameCHEMBL3403619
Molecular formulaC26H27F3N2O3
IUPAC name2-[6-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]acetic acid
Molecular weight472.508
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP3.1
SynonymsSCHEMBL946655
BDBM50063864
SC-92768
D-glycero-D-galacto-Non-2-enonic acid, 5-(acetylam
Inchi KeyISBCPWVJRHMKFI-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H27F3N2O3/c27-26(28,29)21-11-15(5-7-18(21)16-3-1-2-4-16)14-34-17-6-8-22-20(12-17)19-9-10-30-23(13-24(32)33)25(19)31-22/h5-8,11-12,16,23,30-31H,1-4,9-10,13-14H2,(H,32,33)
PubChem CID49839234
ChEMBLCHEMBL3403619
IUPHARN/A
BindingDB50063864
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: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
447239Sphingosine 1-phosphate receptor 1P48303S1pr1Rattus norvegicus (Rat)383
447240Sphingosine 1-phosphate receptor 1O08530S1pr1Mus musculus (Mouse)382
447243Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
447241Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353
447245Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378
447242Sphingosine 1-phosphate receptor 4O95977S1PR4Homo sapiens (Human)384
447244Sphingosine 1-phosphate receptor 5Q9H228S1PR5Homo sapiens (Human)398

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