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Ligand

NameMLS000624306
Molecular formulaC18H13N5OS
IUPAC name1-phenyl-2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanone
Molecular weight347.396
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP2.6
Synonyms1-phenyl-2-((3-(pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)ethanone
1-phenyl-2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanone
1-phenyl-2-[[3-(3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]ethanone
1-phenyl-2-[[3-(3-pyridyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]ethanone
868969-40-8
[ Show all ]
Inchi KeyGGYXJCAZPGQJQS-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H13N5OS/c24-15(13-5-2-1-3-6-13)12-25-17-9-8-16-20-21-18(23(16)22-17)14-7-4-10-19-11-14/h1-11H,12H2
PubChem CID7190795
ChEMBLCHEMBL1580576
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
96219Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757
96217Relaxin receptor 2Q8WXD0RXFP2Homo sapiens (Human)754
96218Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

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