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Ligand

NameSCHEMBL1835540
Molecular formulaC26H30N4
IUPAC name2-[1-(6-benzyl-4,5-dimethylpyridazin-3-yl)piperidin-4-yl]-1,3-dihydroisoindole
Molecular weight398.554
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.6
SynonymsCHEMBL3906243
Inchi KeyGNPQEIGPKGMXKY-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H30N4/c1-19-20(2)26(28-27-25(19)16-21-8-4-3-5-9-21)29-14-12-24(13-15-29)30-17-22-10-6-7-11-23(22)18-30/h3-11,24H,12-18H2,1-2H3
PubChem CID59191596
ChEMBLCHEMBL3906243
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
538458Smoothened homologP56726SmoMus musculus (Mouse)793
538459Smoothened homologQ99835SMOHomo sapiens (Human)787

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