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Ligand

NameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(1-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide
Molecular formulaC20H17N5OS2
IUPAC nameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Molecular weight407.51
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.8
SynonymsMLS000097398
AC1M2W8G
CHEMBL1321699
MolPort-002-266-652
HMS2378N20
[ Show all ]
Inchi KeyADAMSUNAJBIMOO-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H17N5OS2/c1-14-7-9-15(10-8-14)17-11-27-20(22-17)23-18(26)12-28-19-21-13-25(24-19)16-5-3-2-4-6-16/h2-11,13H,12H2,1H3,(H,22,23,26)
PubChem CID2202285
ChEMBLCHEMBL1321699
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
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GLASS IDNameUniProtGeneSpeciesLength
2078Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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