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Ligand

NameCHEMBL3394848
Molecular formulaC23H19F2N5O2
IUPAC name[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
Molecular weight435.435
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP4.5
SynonymsBDBM50060937
SCHEMBL15882103
Inchi KeyVCYRJXZNOOUBSE-FQEVSTJZSA-N
Inchi IDInChI=1S/C23H19F2N5O2/c24-23(25)11-14-29(22(31)17-6-2-4-8-19(17)30-26-12-13-27-30)15-20(23)32-21-10-9-16-5-1-3-7-18(16)28-21/h1-10,12-13,20H,11,14-15H2/t20-/m0/s1
PubChem CID77107594
ChEMBLCHEMBL3394848
IUPHARN/A
BindingDB50060937
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
455708Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
545488Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
455709Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444
545487Orexin receptor type 2P56719Hcrtr2Rattus norvegicus (Rat)460

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