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Ligand

NameCHEMBL443811
Molecular formulaC27H44N4O
IUPAC name2-(4-hexadecanoylpiperazin-1-yl)-2-pyridin-3-ylacetonitrile
Molecular weight440.676
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP7.3
Synonyms(4-Hexadecanoyl-piperazin-1-yl)-pyridin-3-yl-acetonitrile
BDBM50003555
SCHEMBL9852993
2-[4-(1-Oxohexadecyl)-1-piperazinyl]-2-(3-pyridinyl)acetonitrile
Inchi KeyBCGSZZUUBNGFLA-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H44N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-27(32)31-21-19-30(20-22-31)26(23-28)25-16-15-18-29-24-25/h15-16,18,24,26H,2-14,17,19-22H2,1H3
PubChem CID10321053
ChEMBLCHEMBL443811
IUPHARN/A
BindingDB50003555
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
20160Platelet-activating factor receptorP46002PtafrRattus norvegicus (Rat)341
20161Platelet-activating factor receptorP21556PTAFRCavia porcellus (Guinea pig)342

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