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Ligand

NameCHEMBL70226
Molecular formulaC20H20Cl2N2O3
IUPAC name1-[[5-[2-(3,4-dichlorophenyl)acetyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-4-yl]methyl]pyrrolidin-3-one
Molecular weight407.291
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP2.8
SynonymsBDBM50039099
L003818
1-{5-[2-(3,4-Dichloro-phenyl)-acetyl]-4,5,6,7-tetrahydro-furo[3,2-c]pyridin-4-ylmethyl}-pyrrolidin-3-one
SCHEMBL9636800
Inchi KeyAJKUPPVEURAWOP-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H20Cl2N2O3/c21-16-2-1-13(9-17(16)22)10-20(26)24-7-4-19-15(5-8-27-19)18(24)12-23-6-3-14(25)11-23/h1-2,5,8-9,18H,3-4,6-7,10-12H2
PubChem CID14933785
ChEMBLCHEMBL70226
IUPHARN/A
BindingDB50039099
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
6992Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380

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