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Ligand

NameCHEMBL356592
Molecular formulaC21H22N2O3
IUPAC name3-[4-(5H-[1]benzoxepino[3,4-b]pyridin-11-ylidene)piperidin-1-yl]propanoic acid
Molecular weight350.418
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP-0.5
Synonyms4-[[1]Benzoxepino[3,4-b]pyridin-5(11H)-ylidene]piperidine-1-propanoic acid
Inchi KeyBSSFPLPFKSAVSL-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H22N2O3/c24-20(25)9-13-23-11-7-15(8-12-23)21-16-5-3-10-22-18(16)14-26-19-6-2-1-4-17(19)21/h1-6,10H,7-9,11-14H2,(H,24,25)
PubChem CID10020781
ChEMBLCHEMBL356592
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
31952Histamine H1 receptorP70174Hrh1Mus musculus (Mouse)488

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