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Ligand

NameMLS000834580
Molecular formulaC25H35N3O4
IUPAC name(2R,3R,4S)-N-(1H-benzimidazol-2-ylmethyl)-4-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide
Molecular weight441.572
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP4.6
SynonymsCHEMBL1391645
HMS2198K13
SMR000442127
Inchi KeyAHDYIVBCXUSCMN-MPCDZSKCSA-N
Inchi IDInChI=1S/C25H35N3O4/c1-2-31-25-18(11-8-14-29)19(17-9-4-3-5-10-17)15-22(32-25)24(30)26-16-23-27-20-12-6-7-13-21(20)28-23/h6-7,12-13,15,17-19,25,29H,2-5,8-11,14,16H2,1H3,(H,26,30)(H,27,28)/t18-,19-,25-/m1/s1
PubChem CID16197034
ChEMBLCHEMBL1391645
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
5462Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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