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Ligand

NameCHEMBL3704958
Molecular formulaC23H23N7O
IUPAC name[(2S,3R)-2-methyl-3-(quinazolin-2-ylamino)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
Molecular weight413.485
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.0
SynonymsBDBM175137
SCHEMBL16078131
US9115117, 39
Inchi KeyFIOCWYORYODYRN-QFBILLFUSA-N
Inchi IDInChI=1S/C23H23N7O/c1-16-19(27-23-24-15-17-7-2-4-9-20(17)28-23)10-6-14-29(16)22(31)18-8-3-5-11-21(18)30-25-12-13-26-30/h2-5,7-9,11-13,15-16,19H,6,10,14H2,1H3,(H,24,27,28)/t16-,19+/m0/s1
PubChem CID86271315
ChEMBLCHEMBL3704958
IUPHARN/A
BindingDB175137
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
472662Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
517719Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
472663Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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