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Ligand

NameSCHEMBL17043222
Molecular formulaC24H26N4O2
IUPAC name3-methyl-2-[(3R,6R)-6-methyl-1-(2-pyridin-2-ylcyclopentene-1-carbonyl)piperidin-3-yl]oxypyridine-4-carbonitrile
Molecular weight402.498
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.2
Synonyms3-methyl-2-({(3r,6r)-6- methyl-1-[(2-pyridin-2- ylcyclopent-1-en-1- yl)carbonyl]piperidin-3- yl}oxy)pyridine-4-carbonitrile
US9546152, example 63
BDBM205159
Inchi KeyABJRCTKEAAWJIC-VQIMIIECSA-N
Inchi IDInChI=1S/C24H26N4O2/c1-16-9-10-19(30-23-17(2)18(14-25)11-13-27-23)15-28(16)24(29)21-7-5-6-20(21)22-8-3-4-12-26-22/h3-4,8,11-13,16,19H,5-7,9-10,15H2,1-2H3/t16-,19-/m1/s1
PubChem CID74221627
ChEMBLN/A
IUPHARN/A
BindingDB205159
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
557331Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
557330Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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