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Ligand

NameCHEMBL3235265
Molecular formulaC25H26N4O2
IUPAC name[(2R,5S)-5-[2-[3-(hydroxymethyl)phenyl]ethynyl]-2-methylpiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
Molecular weight414.509
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.9
SynonymsBDBM50000984
Inchi KeyAEIYXQGHBFFFPX-CTNGQTDRSA-N
Inchi IDInChI=1S/C25H26N4O2/c1-18-6-11-24(29-26-12-13-27-29)23(14-18)25(31)28-16-21(8-7-19(28)2)10-9-20-4-3-5-22(15-20)17-30/h3-6,11-15,19,21,30H,7-8,16-17H2,1-2H3/t19-,21+/m1/s1
PubChem CID90654338
ChEMBLCHEMBL3235265
IUPHARN/A
BindingDB50000984
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
3514Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
3513Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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