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Ligand

NameCHEMBL92303
Molecular formulaC22H35NO2
IUPAC name1-[4-(3-hydroxyphenyl)-1-octylpiperidin-4-yl]propan-1-one
Molecular weight345.527
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.4
Synonyms1-Propanone, 1-[4-(3-hydroxyphenyl)-1-octyl-4-piperidinyl]-
DTXSID50658297
1-[4-(3-HYDROXYPHENYL)-1-OCTYLPIPERIDIN-4-YL]PROPAN-1-ONE
55566-32-0
CTK1F6527
Inchi KeyDKEUDIJLBJIERV-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H35NO2/c1-3-5-6-7-8-9-15-23-16-13-22(14-17-23,21(25)4-2)19-11-10-12-20(24)18-19/h10-12,18,24H,3-9,13-17H2,1-2H3
PubChem CID44325654
ChEMBLCHEMBL92303
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
62142Mu-type opioid receptorP42866Oprm1Mus musculus (Mouse)398

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