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Ligand

NameCHEMBL2048293
Molecular formulaC23H15F3N4O4
IUPAC name2-[6-[5-[3-cyano-5-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid
Molecular weight468.392
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP4.1
SynonymsSCHEMBL949280
HHVPFOZVFPAJBT-UHFFFAOYSA-N
BDBM50386859
2-(7-(5-(3-Cyano-5-(trifluoromethoxy)phenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetic Acid
Inchi KeyHHVPFOZVFPAJBT-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(H,31,32)
PubChem CID44138103
ChEMBLCHEMBL2048293
IUPHARN/A
BindingDB50386859
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
115306Sphingosine 1-phosphate receptor 1O08530S1pr1Mus musculus (Mouse)382
115309Sphingosine 1-phosphate receptor 1P48303S1pr1Rattus norvegicus (Rat)383
115310Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
115311Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353
115307Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378
115312Sphingosine 1-phosphate receptor 4O95977S1PR4Homo sapiens (Human)384
115308Sphingosine 1-phosphate receptor 5Q9H228S1PR5Homo sapiens (Human)398

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