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Ligand

NameCHEMBL1760951
Molecular formulaC17H24N4O3
IUPAC nameN-[2-[6-methoxy-3-(morpholin-4-ylmethyl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide
Molecular weight332.404
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP0.3
SynonymsBDBM50340332
N-(2-(6-methoxy-3-(morpholinomethyl)-1H-pyrrolo[2,3-b]pyridin-1-yl)ethyl)acetamide
Inchi KeyCRJVLUQEWDTFEC-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H24N4O3/c1-13(22)18-5-6-21-12-14(11-20-7-9-24-10-8-20)15-3-4-16(23-2)19-17(15)21/h3-4,12H,5-11H2,1-2H3,(H,18,22)
PubChem CID54586060
ChEMBLCHEMBL1760951
IUPHARN/A
BindingDB50340332
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
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GLASS IDNameUniProtGeneSpeciesLength
48840Melatonin receptor type 1AP48039MTNR1AHomo sapiens (Human)350
48839Melatonin receptor type 1BP49286MTNR1BHomo sapiens (Human)362

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