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Ligand

NameCHEMBL562328
Molecular formulaC18H25N3O2
IUPAC nameN-[2-(9-methoxy-2-methyl-1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indol-11-yl)ethyl]acetamide
Molecular weight315.417
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP1.5
SynonymsN/A
Inchi KeyAJXXAUPRLYVAPM-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H25N3O2/c1-13(22)19-8-7-15-16-11-14(23-3)5-6-17(16)21-10-4-9-20(2)12-18(15)21/h5-6,11H,4,7-10,12H2,1-3H3,(H,19,22)
PubChem CID45268318
ChEMBLCHEMBL562328
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
7325Melatonin receptor type 1AP48039MTNR1AHomo sapiens (Human)350
7326Melatonin receptor type 1BP49286MTNR1BHomo sapiens (Human)362

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