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Ligand

NameDORA-22
Molecular formulaC23H22F2N4O2
IUPAC name[(2R,5R)-5-[(5-fluoropyridin-2-yl)oxymethyl]-2-methylpiperidin-1-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone
Molecular weight424.452
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.6
Synonyms1088991-95-0
DORA22
DORA 22
SCHEMBL1716753
CHEMBL3655675
[ Show all ]
Inchi KeyADNQCBKNFSDDHY-HZPDHXFCSA-N
Inchi IDInChI=1S/C23H22F2N4O2/c1-15-3-4-16(14-31-21-8-6-18(25)12-28-21)13-29(15)23(30)20-11-17(24)5-7-19(20)22-26-9-2-10-27-22/h2,5-12,15-16H,3-4,13-14H2,1H3/t15-,16-/m1/s1
PubChem CID25126515
ChEMBLCHEMBL3655675
IUPHARN/A
BindingDB104702
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
2899Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
2898Orexin receptor type 2P56719Hcrtr2Rattus norvegicus (Rat)460

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