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Ligand

NameMLS000662404
Molecular formulaC18H17ClN2O4
IUPAC name[3-(2-chloro-4-nitrophenoxy)phenyl]-piperidin-1-ylmethanone
Molecular weight360.794
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.2
Synonyms1-[3-(2-chloro-4-nitrophenoxy)benzoyl]piperidine
3-(2-chloro-4-nitrophenoxy)phenyl piperidyl ketone
AC1LP9J3
AKOS003651190
BDBM61524
[ Show all ]
Inchi KeyACRDNASHOTUMTR-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H17ClN2O4/c19-16-12-14(21(23)24)7-8-17(16)25-15-6-4-5-13(11-15)18(22)20-9-2-1-3-10-20/h4-8,11-12H,1-3,9-10H2
PubChem CID1303358
ChEMBLCHEMBL1382402
IUPHARN/A
BindingDB61524
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
1808G-protein coupled receptor 55Q9Y2T6GPR55Homo sapiens (Human)319

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