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Ligand

NameMLS000697907
Molecular formulaC27H42N4O2
IUPAC name3-cyclohexyl-N-[2-[(3S,6S)-6-[(4-methoxyphenyl)methyl]-3-propan-2-yl-2,3,5,6-tetrahydroimidazo[1,2-a]imidazol-7-yl]ethyl]propanamide
Molecular weight454.659
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.9
SynonymsCHEMBL1508013
HMS2226N22
REGID_for_CID_16195652
SMR000386407
Inchi KeyAGKZDBWAALRZAJ-UKILVPOCSA-N
Inchi IDInChI=1S/C27H42N4O2/c1-20(2)25-18-29-27-30(16-15-28-26(32)14-11-21-7-5-4-6-8-21)23(19-31(25)27)17-22-9-12-24(33-3)13-10-22/h9-10,12-13,20-21,23,25H,4-8,11,14-19H2,1-3H3,(H,28,32)/t23-,25+/m0/s1
PubChem CID16195652
ChEMBLCHEMBL1508013
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
4982Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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