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Ligand

NameMLS002177825
Molecular formulaC27H23ClN2O4
IUPAC name(2R,11R,12R,13R)-18-chloro-5-methoxy-13-methyl-12-phenyl-9-oxa-1,15-diazapentacyclo[11.9.0.02,11.03,8.016,21]docosa-3(8),4,6,16(21),17,19-hexaene-14,22-dione
Molecular weight474.941
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.2
SynonymsCHEMBL1591684
HMS2195P03
SMR001261357
Inchi KeyACNYIVHWDXKRJD-MBPYSEENSA-N
Inchi IDInChI=1S/C27H23ClN2O4/c1-27-23(15-6-4-3-5-7-15)20-14-34-22-11-9-17(33-2)13-19(22)24(20)30(27)25(31)18-10-8-16(28)12-21(18)29-26(27)32/h3-13,20,23-24H,14H2,1-2H3,(H,29,32)/t20-,23+,24+,27-/m1/s1
PubChem CID25102699
ChEMBLCHEMBL1591684
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
1733Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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