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Ligand

NameCHEMBL147057
Molecular formulaC21H22N2O3
IUPAC name3-[4-(5H-[1]benzoxepino[4,3-b]pyridin-11-ylidene)piperidin-1-yl]propanoic acid
Molecular weight350.418
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP-0.5
Synonyms4-[[1]Benzoxepino[4,3-b]pyridin-11(5H)-ylidene]piperidine-1-propanoic acid
Inchi KeyXSKPRUWKVJXIIZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H22N2O3/c24-19(25)9-13-23-11-7-15(8-12-23)20-17-5-1-2-6-18(17)26-14-16-4-3-10-22-21(16)20/h1-6,10H,7-9,11-14H2,(H,24,25)
PubChem CID9950280
ChEMBLCHEMBL147057
IUPHARN/A
BindingDBN/A
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
399743Histamine H1 receptorP70174Hrh1Mus musculus (Mouse)488

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