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Ligand

NameCHEMBL3955752
Molecular formulaC22H18F2N4O2
IUPAC name[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-imidazo[1,5-a]pyridin-8-ylmethanone
Molecular weight408.409
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.4
SynonymsBDBM50203754
Inchi KeyHDXOKNFWVWBAOR-IBGZPJMESA-N
Inchi IDInChI=1S/C22H18F2N4O2/c23-22(24)9-11-27(21(29)16-5-3-10-28-14-25-12-18(16)28)13-19(22)30-20-8-7-15-4-1-2-6-17(15)26-20/h1-8,10,12,14,19H,9,11,13H2/t19-/m0/s1
PubChem CID134144954
ChEMBLCHEMBL3955752
IUPHARN/A
BindingDB50203754
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
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GLASS IDNameUniProtGeneSpeciesLength
549247Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
549250Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
549248Orexin receptor type 2P56719Hcrtr2Rattus norvegicus (Rat)460
549249Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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