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Ligand

NameCHEMBL139744
Molecular formulaC16H22N2OS
IUPAC name1-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]-3-propylurea
Molecular weight290.425
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP4.0
SynonymsBDBM50408585
ZINC13781798
Inchi KeyCCKYKOWTMAHRFZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H22N2OS/c1-3-8-17-16(19)18-9-7-13-11-20-15-6-5-12(4-2)10-14(13)15/h5-6,10-11H,3-4,7-9H2,1-2H3,(H2,17,18,19)
PubChem CID21469693
ChEMBLCHEMBL139744
IUPHARN/A
BindingDB50408585
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
38702Melatonin receptor type 1AP48039MTNR1AHomo sapiens (Human)350

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