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Ligand

NameCHEMBL358348
Molecular formulaC22H23NO3
IUPAC name3-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]propanoic acid
Molecular weight349.43
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP1.2
SynonymsAEDHFDGZXSBAST-UHFFFAOYSA-N
SCHEMBL9718791
4-(Dibenz[b,e]oxepin-11(6H)-ylidene)-1-piperidinepropionic acid
4-[Dibenz[b,e]oxepin-11(6H)-ylidene]piperidine-1-propionic acid
Inchi KeyAEDHFDGZXSBAST-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H23NO3/c24-21(25)11-14-23-12-9-16(10-13-23)22-18-6-2-1-5-17(18)15-26-20-8-4-3-7-19(20)22/h1-8H,9-15H2,(H,24,25)
PubChem CID9928321
ChEMBLCHEMBL358348
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
3360Histamine H1 receptorP70174Hrh1Mus musculus (Mouse)488

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