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Ligand

NameMLS000734863
Molecular formulaC20H25NO3
IUPAC nameethyl 1-but-2-ynoyl-4-(2-phenylethyl)piperidine-4-carboxylate
Molecular weight327.424
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.6
SynonymsCHEMBL1323562
ethyl 1-(2-butynoyl)-4-(2-phenylethyl)-4-piperidinecarboxylate
ethyl 1-but-2-ynoyl-4-(2-phenylethyl)piperidine-4-carboxylate
HMS2638B19
HMS3359M11
[ Show all ]
Inchi KeyAHHBUPLKWDEEOG-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H25NO3/c1-3-8-18(22)21-15-13-20(14-16-21,19(23)24-4-2)12-11-17-9-6-5-7-10-17/h5-7,9-10H,4,11-16H2,1-2H3
PubChem CID16190021
ChEMBLCHEMBL1323562
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
5538Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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