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Ligand

NameCHEMBL3360364
Molecular formulaC21H20N4O2
IUPAC name2-propan-2-yloxy-5-[3-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
Molecular weight360.417
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.4
SynonymsAHSPGSWUSCHUKP-UHFFFAOYSA-N
2-[(1-methylethyl)oxy]-5-[3-(1,2,3,4-tetrahydro-6-isoquinolinyl)-1,2,4-oxadiazol-5-yl]benzonitrile
BDBM50034632
SCHEMBL2123025
ZINC118091049
Inchi KeyAHSPGSWUSCHUKP-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H20N4O2/c1-13(2)26-19-6-5-16(10-18(19)11-22)21-24-20(25-27-21)15-3-4-17-12-23-8-7-14(17)9-15/h3-6,9-10,13,23H,7-8,12H2,1-2H3
PubChem CID57505996
ChEMBLCHEMBL3360364
IUPHARN/A
BindingDB50034632
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
441921Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
441920Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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