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Ligand

NameCHEMBL499944
Molecular formulaC31H31ClN6O4
IUPAC nameN-[3-[[4-(4-acetylpiperazin-1-yl)-5-chloro-6-oxopyridazin-1-yl]methyl]-2-methylphenyl]-4-(6-methoxypyridin-3-yl)benzamide
Molecular weight587.077
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.5
SynonymsBDBM50413009
Inchi KeyVFOZGTRLWIEYPE-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H31ClN6O4/c1-20-25(19-38-31(41)29(32)27(18-34-38)37-15-13-36(14-16-37)21(2)39)5-4-6-26(20)35-30(40)23-9-7-22(8-10-23)24-11-12-28(42-3)33-17-24/h4-12,17-18H,13-16,19H2,1-3H3,(H,35,40)
PubChem CID25209704
ChEMBLCHEMBL499944
IUPHARN/A
BindingDB50413009
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
353888Mas-related G-protein coupled receptor member X1Q96LB2MRGPRX1Homo sapiens (Human)322

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