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Ligand

NameCHEMBL294345
Molecular formulaC21H23NO3
IUPAC name(11Z)-11-[4-(dimethylamino)butylidene]-6H-benzo[c][1]benzoxepine-2-carboxylic acid
Molecular weight337.419
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP1.9
Synonyms11-(4-Dimethylamino-butylidene)-6,11-dihydro-dibenzo[b,e]oxepine-2-carboxylic acid
BDBM50002097
SCHEMBL5060826
6,11-Dihydro-11-[(Z)-4-dimethylaminobutylidene]dibenz[b,e]oxepin-2-carboxylic acid
Inchi KeyARFFJDYERFVHNC-NVMNQCDNSA-N
Inchi IDInChI=1S/C21H23NO3/c1-22(2)12-6-5-9-18-17-8-4-3-7-16(17)14-25-20-11-10-15(21(23)24)13-19(18)20/h3-4,7-11,13H,5-6,12,14H2,1-2H3,(H,23,24)/b18-9-
PubChem CID15749431
ChEMBLCHEMBL294345
IUPHARN/A
BindingDB50002097
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
12409Histamine H1 receptorP31389HRH1Cavia porcellus (Guinea pig)488
12410Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460

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