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Ligand

NameCHEMBL1760954
Molecular formulaC14H20N4O2
IUPAC nameN-[2-[6-methoxy-3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide
Molecular weight276.34
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP0.2
SynonymsBDBM50340334
N-(2-(6-methoxy-3-((methylamino)methyl)-1H-pyrrolo[2,3-b]pyridin-1-yl)ethyl)acetamide
Inchi KeyBNECBUSPJTTYQW-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H20N4O2/c1-10(19)16-6-7-18-9-11(8-15-2)12-4-5-13(20-3)17-14(12)18/h4-5,9,15H,6-8H2,1-3H3,(H,16,19)
PubChem CID54583162
ChEMBLCHEMBL1760954
IUPHARN/A
BindingDB50340334
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
28020Melatonin receptor type 1AP48039MTNR1AHomo sapiens (Human)350
28019Melatonin receptor type 1BP49286MTNR1BHomo sapiens (Human)362

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