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Ligand

NameCHEMBL450183
Molecular formulaC31H33ClN6O3
IUPAC nameN-[3-[[5-chloro-4-(3,5-dimethylpiperazin-1-yl)-6-oxopyridazin-1-yl]methyl]-2-methylphenyl]-4-(6-methoxypyridin-3-yl)benzamide
Molecular weight573.094
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.4
SynonymsBDBM50413006
Inchi KeyPIJVLUXGTSNNFE-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H33ClN6O3/c1-19-16-37(17-20(2)35-19)27-15-34-38(31(40)29(27)32)18-25-6-5-7-26(21(25)3)36-30(39)23-10-8-22(9-11-23)24-12-13-28(41-4)33-14-24/h5-15,19-20,35H,16-18H2,1-4H3,(H,36,39)
PubChem CID25209536
ChEMBLCHEMBL450183
IUPHARN/A
BindingDB50413006
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
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GLASS IDNameUniProtGeneSpeciesLength
260548Mas-related G-protein coupled receptor member X1Q96LB2MRGPRX1Homo sapiens (Human)322

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