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Ligand

NameCHEMBL2442637
Molecular formulaC16H19NOS
IUPAC name(2E,4E,6E)-1-piperidin-1-yl-7-thiophen-2-ylhepta-2,4,6-trien-1-one
Molecular weight273.394
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP3.7
Synonyms(2E,4E,6E)-1-Piperidino-7-(2-thienyl)-2,4,6-heptatriene-1-one
Inchi KeyIOXFTHWVGPAEOG-DEVQJBAHSA-N
Inchi IDInChI=1S/C16H19NOS/c18-16(17-12-6-3-7-13-17)11-5-2-1-4-9-15-10-8-14-19-15/h1-2,4-5,8-11,14H,3,6-7,12-13H2/b2-1+,9-4+,11-5+
PubChem CID11821786
ChEMBLCHEMBL2442637
IUPHARN/A
BindingDBN/A
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
138304Cannabinoid receptor 1P47746Cnr1Mus musculus (Mouse)473
138305Cannabinoid receptor 2P47936Cnr2Mus musculus (Mouse)347
138307Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
138306Mu-type opioid receptorP42866Oprm1Mus musculus (Mouse)398

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