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Ligand

NameCHEMBL3612463
Molecular formulaC21H27N3O2
IUPAC name1-[(1-benzyl-5-methoxy-3,4-dihydro-2H-quinolin-2-yl)methyl]-3-ethylurea
Molecular weight353.466
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.5
Synonyms1-(1-Benzyl-5-methoxy-1,2,3,4-tetrahydroquinoline-2-ylmethyl)-3-ethylurea
Inchi KeyBIRNOEALVWVAKS-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H27N3O2/c1-3-22-21(25)23-14-17-12-13-18-19(10-7-11-20(18)26-2)24(17)15-16-8-5-4-6-9-16/h4-11,17H,3,12-15H2,1-2H3,(H2,22,23,25)
PubChem CID122188232
ChEMBLCHEMBL3612463
IUPHARN/A
BindingDB50117881
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
465955Melatonin receptor type 1AP48039MTNR1AHomo sapiens (Human)350

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