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Ligand

NameCHEMBL545773
Molecular formulaC27H29N5O
IUPAC name2-[4-[2-(1,2-diphenylethylamino)acetyl]piperazin-1-yl]-2-pyridin-3-ylacetonitrile
Molecular weight439.563
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.0
Synonyms{4-[2-(1,2-Diphenyl-ethylamino)-acetyl]-piperazin-1-yl}-pyridin-3-yl-acetonitrile; trihydrochloride; hydrate
BDBM50003474
SCHEMBL9852864
CHEMBL1194240
Inchi KeyBGSCELVHAPWUET-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H29N5O/c28-19-26(24-12-7-13-29-20-24)31-14-16-32(17-15-31)27(33)21-30-25(23-10-5-2-6-11-23)18-22-8-3-1-4-9-22/h1-13,20,25-26,30H,14-18,21H2
PubChem CID10365929
ChEMBLN/A
IUPHARN/A
BindingDB50003474
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
519805Platelet-activating factor receptorP21556PTAFRCavia porcellus (Guinea pig)342

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