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Ligand

NameCHEMBL105514
Molecular formulaC28H28FN3O6
IUPAC name1-[1-[5-fluoro-2-methoxy-4-[(1R)-1-(1-oxidopyridin-1-ium-4-yl)ethoxy]benzoyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one
Molecular weight521.545
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP2.8
SynonymsBDBM50072365
1-(1-{5-Fluoro-2-methoxy-4-[(R)-1-(1-oxy-pyridin-4-yl)-ethoxy]-benzoyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one
Inchi KeyCDEVBWPFXJVAJS-GOSISDBHSA-N
Inchi IDInChI=1S/C28H28FN3O6/c1-18(19-7-13-31(35)14-8-19)38-26-16-25(36-2)22(15-23(26)29)27(33)30-11-9-21(10-12-30)32-24-6-4-3-5-20(24)17-37-28(32)34/h3-8,13-16,18,21H,9-12,17H2,1-2H3/t18-/m1/s1
PubChem CID11756466
ChEMBLCHEMBL105514
IUPHARN/A
BindingDB50072365
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
39220Oxytocin receptorP30559OXTRHomo sapiens (Human)389
39221Oxytocin receptorP70536OxtrRattus norvegicus (Rat)388

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