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Ligand

NameSMR000624270
Molecular formulaC28H34N6O2
IUPAC name3-(4-benzyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]propanamide
Molecular weight486.62
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.3
SynonymsMLS001076868
MLS003880410
CHEMBL1370306
HMS2260N04
AKOS001851875
Inchi KeyAKJYPSYIENCAAT-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H34N6O2/c1-20-9-8-10-21(2)32(20)18-17-29-26(35)16-15-25-30-31-28-33(19-22-11-4-3-5-12-22)27(36)23-13-6-7-14-24(23)34(25)28/h3-7,11-14,20-21H,8-10,15-19H2,1-2H3,(H,29,35)
PubChem CID20880788
ChEMBLCHEMBL1370306
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
7620Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
7619Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757

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