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Ligand

NameMLS000624282
Molecular formulaC19H21N7O3S
IUPAC nameethyl 4-[2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetyl]piperazine-1-carboxylate
Molecular weight427.483
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP0.8
SynonymsCHEMBL1313100
MolPort-003-077-426
HMS2726B03
ZINC9599793
AKOS024612674
[ Show all ]
Inchi KeyAHQLWEBMCWXDCA-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H21N7O3S/c1-2-29-19(28)25-11-9-24(10-12-25)17(27)13-30-16-7-6-15-21-22-18(26(15)23-16)14-5-3-4-8-20-14/h3-8H,2,9-13H2,1H3
PubChem CID16194904
ChEMBLCHEMBL1313100
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
5804Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757

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