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Ligand

NameMLS001142717
Molecular formulaC25H26N4O3
IUPAC name(2S)-2-[(2S)-2-methyl-3,5-dioxo-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-4-yl]-N-(1-phenylethyl)propanamide
Molecular weight430.508
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.0
SynonymsCHEMBL1449210
MolPort-002-523-076
HMS2270A06
STL546294
AKOS030500675
[ Show all ]
Inchi KeyAFZQGJCVAKLESL-VNIRGASOSA-N
Inchi IDInChI=1S/C25H26N4O3/c1-15(17-9-5-4-6-10-17)26-22(30)16(2)29-23(31)25(3)21-19(13-14-28(25)24(29)32)18-11-7-8-12-20(18)27-21/h4-12,15-16,27H,13-14H2,1-3H3,(H,26,30)/t15?,16-,25-/m0/s1
PubChem CID16400414
ChEMBLCHEMBL1449210
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
4655Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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