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Ligand

NameCHEMBL139418
Molecular formulaC18H17NO4
IUPAC nameN-[(6-methoxy-2-phenyl-1,4-benzodioxin-3-yl)methyl]acetamide
Molecular weight311.337
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.4
SynonymsSCHEMBL7198597
BDBM50408568
BTIYDRLBOALGSI-UHFFFAOYSA-N
n-[(7-methoxy-3-phenyl-1,4-benzodioxin-2-yl)methyl]acetamide
Inchi KeyBTIYDRLBOALGSI-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H17NO4/c1-12(20)19-11-17-18(13-6-4-3-5-7-13)23-15-9-8-14(21-2)10-16(15)22-17/h3-10H,11H2,1-2H3,(H,19,20)
PubChem CID15372705
ChEMBLCHEMBL139418
IUPHARN/A
BindingDB50408568
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
32376Melatonin receptor type 1AP48039MTNR1AHomo sapiens (Human)350

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