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Ligand

NameSCHEMBL1716836
Molecular formulaC21H22ClN5O2
IUPAC name[(2R,5R)-5-[(2-chloropyridin-4-yl)oxymethyl]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
Molecular weight411.89
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.1
SynonymsCHEMBL3655684
BDBM104711
US8569311, 1-43
Inchi KeyGQLRTQAQSNZOGW-HZPDHXFCSA-N
Inchi IDInChI=1S/C21H22ClN5O2/c1-15-6-7-16(14-29-17-8-9-23-20(22)12-17)13-26(15)21(28)18-4-2-3-5-19(18)27-24-10-11-25-27/h2-5,8-12,15-16H,6-7,13-14H2,1H3/t15-,16-/m1/s1
PubChem CID59396051
ChEMBLCHEMBL3655684
IUPHARN/A
BindingDB104711
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
102733Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
102734Orexin receptor type 2P56719Hcrtr2Rattus norvegicus (Rat)460

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