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Ligand

NameCHEMBL2048287
Molecular formulaC23H15F3N4O4
IUPAC name2-[7-[5-[3-cyano-5-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetic acid
Molecular weight468.392
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogP4.5
SynonymsSCHEMBL2562414
ODAGRTXRMUHDND-UHFFFAOYSA-N
BDBM50386853
2-(7-(5-(3-Cyano-5-(trifluoromethoxy)phenyl)-1,2,4-oxadiazol-3-yl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetic Acid
Inchi KeyODAGRTXRMUHDND-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H15F3N4O4/c24-23(25,26)33-15-6-11(10-27)5-14(7-15)22-29-21(30-34-22)13-2-4-18-17(8-13)16-3-1-12(9-19(31)32)20(16)28-18/h2,4-8,12,28H,1,3,9H2,(H,31,32)
PubChem CID42630194
ChEMBLCHEMBL2048287
IUPHARN/A
BindingDB50386853
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
238205Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
238206Sphingosine 1-phosphate receptor 1P48303S1pr1Rattus norvegicus (Rat)383
238207Sphingosine 1-phosphate receptor 1O08530S1pr1Mus musculus (Mouse)382
238209Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353
238204Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378
238210Sphingosine 1-phosphate receptor 4O95977S1PR4Homo sapiens (Human)384
238208Sphingosine 1-phosphate receptor 5Q9H228S1PR5Homo sapiens (Human)398

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