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Ligand

NameCHEMBL316172
Molecular formulaC18H21NO3S
IUPAC name2-benzyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-sulfanylpropanamide
Molecular weight331.43
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP2.9
SynonymsN-(4-Hydroxy-3-methoxy-benzyl)-2-mercaptomethyl-3-phenyl-propionamide
N-(4-Hydroxy-3-methoxybenzyl)-2-benzyl-3-mercaptopropionamide
SCHEMBL7300992
BDBM50017738
Inchi KeyARCUZGVEXOVGTL-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H21NO3S/c1-22-17-10-14(7-8-16(17)20)11-19-18(21)15(12-23)9-13-5-3-2-4-6-13/h2-8,10,15,20,23H,9,11-12H2,1H3,(H,19,21)
PubChem CID14557750
ChEMBLCHEMBL316172
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
12322Mu-type opioid receptorP42866Oprm1Mus musculus (Mouse)398

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