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Ligand

NameSCHEMBL1204282
Molecular formulaC22H27ClN6O3
IUPAC name1-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-(6-chloro-3-imino-[1,2,4]triazolo[4,3-b]pyridazin-2-yl)ethanone
Molecular weight458.947
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.2
SynonymsUS9079906, 56
CHEMBL3704458
BDBM169628
Inchi KeyANHBRMBHKAZADD-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H27ClN6O3/c1-22(2,3)15-11-14(12-16(20(15)31-4)27-7-9-32-10-8-27)17(30)13-28-21(24)29-19(26-28)6-5-18(23)25-29/h5-6,11-12,24H,7-10,13H2,1-4H3
PubChem CID58045994
ChEMBLCHEMBL3704458
IUPHARN/A
BindingDB169628
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
459299Proteinase-activated receptor 1P25116F2RHomo sapiens (Human)425

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