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Ligand

NameCHEMBL133457
Molecular formulaC27H29N5O
IUPAC name2-[4-[3-(benzhydrylamino)propanoyl]piperazin-1-yl]-2-pyridin-4-ylacetonitrile
Molecular weight439.563
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.6
SynonymsBDBM50003556
SCHEMBL9852953
{4-[3-(Benzhydryl-amino)-propionyl]-piperazin-1-yl}-pyridin-4-yl-acetonitrile; hydrate; diethylether
Inchi KeyKQBOPEOVYVGIOG-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H29N5O/c28-21-25(22-11-14-29-15-12-22)31-17-19-32(20-18-31)26(33)13-16-30-27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-12,14-15,25,27,30H,13,16-20H2
PubChem CID10026204
ChEMBLCHEMBL133457
IUPHARN/A
BindingDB50003556
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
175358Platelet-activating factor receptorP46002PtafrRattus norvegicus (Rat)341
175359Platelet-activating factor receptorP21556PTAFRCavia porcellus (Guinea pig)342
175360Platelet-activating factor receptorQ62035PtafrMus musculus (Mouse)341

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