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Ligand

NameMLS001164784
Molecular formulaC22H21N3O2S
IUPAC name(15S)-13-ethyl-10-(4-methoxyphenyl)-12-sulfanylidene-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-14-one
Molecular weight391.489
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.7
SynonymsCHEMBL1415563
MolPort-002-510-163
HMS2882D21
AKOS030489377
MCULE-6099209611
[ Show all ]
Inchi KeyACPNRJVOOYLSTI-LROBGIAVSA-N
Inchi IDInChI=1S/C22H21N3O2S/c1-3-24-21(26)18-12-16-15-6-4-5-7-17(15)23-19(16)20(25(18)22(24)28)13-8-10-14(27-2)11-9-13/h4-11,18,20,23H,3,12H2,1-2H3/t18-,20?/m0/s1
PubChem CID16395685
ChEMBLCHEMBL1415563
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
1769Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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