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Ligand

NameCHEMBL3910626
Molecular formulaC28H33N5O2
IUPAC name5-[3-[1-(2-piperidin-1-ylethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
Molecular weight471.605
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.6
SynonymsSCHEMBL12420500
Inchi KeyAFFVZKJMKBGURV-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H33N5O2/c1-19(2)34-26-12-9-20(17-21(26)18-29)28-31-27(32-35-28)24-8-6-7-23-22(24)10-11-25(23)30-13-16-33-14-4-3-5-15-33/h6-9,12,17,19,25,30H,3-5,10-11,13-16H2,1-2H3
PubChem CID52939409
ChEMBLCHEMBL3910626
IUPHARN/A
BindingDBN/A
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
536030Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382

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