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Ligand

NameCHEMBL3235258
Molecular formulaC23H23N5O2
IUPAC name3-[2-[(3S,6R)-6-methyl-1-[5-methyl-2-(triazol-2-yl)benzoyl]piperidin-3-yl]ethynyl]-1H-pyridin-4-one
Molecular weight401.47
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.0
SynonymsBDBM50000993
Inchi KeyAFSMIXILBLVITN-MSOLQXFVSA-N
Inchi IDInChI=1S/C23H23N5O2/c1-16-3-8-21(28-25-11-12-26-28)20(13-16)23(30)27-15-18(5-4-17(27)2)6-7-19-14-24-10-9-22(19)29/h3,8-14,17-18H,4-5,15H2,1-2H3,(H,24,29)/t17-,18+/m1/s1
PubChem CID90654346
ChEMBLCHEMBL3235258
IUPHARN/A
BindingDB50000993
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
4432Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
4433Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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