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Ligand

NameMLS000664008
Molecular formulaC26H28N2O2S
IUPAC nameN-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide
Molecular weight432.582
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.6
SynonymsAC1LQBC9
SR-01000708930
N-[2-methyl-4-[(phenylthio)methyl]phenyl]-4-(4-morpholinylmethyl)benzamide
ZINC19953736
HMS2583L13
[ Show all ]
Inchi KeyFBTMLLNWEFZLSO-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H28N2O2S/c1-20-17-22(19-31-24-5-3-2-4-6-24)9-12-25(20)27-26(29)23-10-7-21(8-11-23)18-28-13-15-30-16-14-28/h2-12,17H,13-16,18-19H2,1H3,(H,27,29)
PubChem CID1321677
ChEMBLCHEMBL1425552
IUPHARN/A
BindingDB97089
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
74560Galanin receptor type 3O60755GALR3Homo sapiens (Human)368

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