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Ligand

NameSMR000019649
Molecular formulaC25H29N3O4S
IUPAC nameethyl 1-[[2-(furan-2-carbonylamino)-4,5-dimethylthiophen-3-yl]-pyridin-3-ylmethyl]piperidine-4-carboxylate
Molecular weight467.584
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.1
SynonymsAC1MMWBN
ethyl 1-[[2-(2-furoylamino)-4,5-dimethylthien-3-yl](pyridin-3-yl)methyl]piperidine-4-carboxylate
MLS000085109
BDBM31031
ethyl 1-[{2-[(furan-2-ylcarbonyl)amino]-4,5-dimethylthiophen-3-yl}(pyridin-3-yl)methyl]piperidine-4-carboxylate
[ Show all ]
Inchi KeyFYETUTFFCYTDPF-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H29N3O4S/c1-4-31-25(30)18-9-12-28(13-10-18)22(19-7-5-11-26-15-19)21-16(2)17(3)33-24(21)27-23(29)20-8-6-14-32-20/h5-8,11,14-15,18,22H,4,9-10,12-13H2,1-3H3,(H,27,29)
PubChem CID3245442
ChEMBLCHEMBL1477013
IUPHARN/A
BindingDB31031
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: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
901615-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
901595-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
90163Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
90160Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371
474031Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593
90162Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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