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Ligand

NameCHEMBL366965
Molecular formulaC20H23NO
IUPAC name(3E)-N,N-dimethyl-3-(2-methyl-6H-benzo[c][1]benzoxepin-11-ylidene)propan-1-amine
Molecular weight293.41
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP4.7
SynonymsBDBM50002099
Dimethyl-[3-(2-methyl-6H-dibenzo[b,e]oxepin-11-ylidene)-propyl]-amine; compound with but-2-enedioic acid
CHEMBL1184758
SCHEMBL2615216
6,11-Dihydro-11-[(E)-3-dimethylaminopropylidene]-2-methyldibenz[b,e]oxepin
Inchi KeyBANMKMYNMRCVLR-GIJQJNRQSA-N
Inchi IDInChI=1S/C20H23NO/c1-15-10-11-20-19(13-15)18(9-6-12-21(2)3)17-8-5-4-7-16(17)14-22-20/h4-5,7-11,13H,6,12,14H2,1-3H3/b18-9+
PubChem CID15749406
ChEMBLN/A
IUPHARN/A
BindingDB50002099
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
18998Histamine H1 receptorP31389HRH1Cavia porcellus (Guinea pig)488

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