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Ligand

NameCHEMBL140919
Molecular formulaC19H19ClN2O
IUPAC name1-[4-[(4-chlorophenyl)-pyridin-2-ylmethylidene]piperidin-1-yl]ethanone
Molecular weight326.824
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP3.5
Synonyms2-[alpha-(1-Acetyl-4-piperidinylidene)-4-chlorobenzyl]pyridine
1-{4-[(4-Chloro-phenyl)-pyridin-2-yl-methylene]-piperidin-1-yl}-ethanone
BDBM50007469
Inchi KeyBUXBWYJPEXONLX-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H19ClN2O/c1-14(23)22-12-9-16(10-13-22)19(18-4-2-3-11-21-18)15-5-7-17(20)8-6-15/h2-8,11H,9-10,12-13H2,1H3
PubChem CID14885642
ChEMBLCHEMBL140919
IUPHARN/A
BindingDB50007469
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
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GLASS IDNameUniProtGeneSpeciesLength
33428Histamine H1 receptorP31390Hrh1Rattus norvegicus (Rat)486
33427Platelet-activating factor receptorP25105PTAFRHomo sapiens (Human)342

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