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Ligand

NameCHEMBL1951304
Molecular formulaC25H23N3O4S
IUPAC name1-[[4-ethyl-5-[5-(4-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]azetidine-3-carboxylic acid
Molecular weight461.536
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP2.4
SynonymsDWVJASHDNJMDNH-UHFFFAOYSA-N
CS 2100
913827-99-3
SCHEMBL3132510
MolPort-035-765-754
[ Show all ]
Inchi KeyDWVJASHDNJMDNH-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H23N3O4S/c1-2-16-12-21(15-28-13-18(14-28)25(29)30)33-22(16)23-26-24(32-27-23)17-8-10-20(11-9-17)31-19-6-4-3-5-7-19/h3-12,18H,2,13-15H2,1H3,(H,29,30)
PubChem CID11977938
ChEMBLCHEMBL1951304
IUPHARN/A
BindingDB50364607
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
70980Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
70984Sphingosine 1-phosphate receptor 1P48303S1pr1Rattus norvegicus (Rat)383
70981Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378
70982Sphingosine 1-phosphate receptor 4O95977S1PR4Homo sapiens (Human)384
70983Sphingosine 1-phosphate receptor 5Q9H228S1PR5Homo sapiens (Human)398

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