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Ligand

NameSCHEMBL460059
Molecular formulaC25H28N4O4
IUPAC name1-[[4-[5-[2-(4-pyridin-3-yloxan-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid
Molecular weight448.523
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP0.3
SynonymsCHEMBL3676134
BDBM130398
US8822510, 108
Inchi KeyAAYNBQNCKLYKNA-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H28N4O4/c30-24(31)20-16-29(17-20)15-18-3-5-19(6-4-18)23-27-22(33-28-23)7-8-25(9-12-32-13-10-25)21-2-1-11-26-14-21/h1-6,11,14,20H,7-10,12-13,15-17H2,(H,30,31)
PubChem CID66692601
ChEMBLCHEMBL3676134
IUPHARN/A
BindingDB130398
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
635Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382

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