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Ligand

NameSMR000047763
Molecular formulaC22H16ClN5O2S
IUPAC name5-(3-chlorophenyl)-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]furan-2-carboxamide
Molecular weight449.913
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.2
SynonymsMLS000084352
5-(3-chlorophenyl)-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]furan-2-carboxamide
5-(3-chlorophenyl)-N-[2-methyl-5-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-2-furamide
AC1LDFX8
MLS001304080
[ Show all ]
Inchi KeyACNKWXDVXVEMDQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H16ClN5O2S/c1-12-6-7-15(21-27-28-13(2)25-26-22(28)31-21)11-17(12)24-20(29)19-9-8-18(30-19)14-4-3-5-16(23)10-14/h3-11H,1-2H3,(H,24,29)
PubChem CID666410
ChEMBLCHEMBL1352844
IUPHARN/A
BindingDB39940
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1722G-protein coupled receptor 55Q9Y2T6GPR55Homo sapiens (Human)319
1723Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
1724Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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