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Ligand

NameCHEMBL474470
Molecular formulaC30H31ClN6O3
IUPAC nameN-[3-[[5-chloro-4-[3-(methylamino)pyrrolidin-1-yl]-6-oxopyridazin-1-yl]methyl]-2-methylphenyl]-4-(6-methoxypyridin-3-yl)benzamide
Molecular weight559.067
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.0
SynonymsBDBM50413008
Inchi KeyGWYXLDVXMGOIKD-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H31ClN6O3/c1-19-23(17-37-30(39)28(31)26(16-34-37)36-14-13-24(18-36)32-2)5-4-6-25(19)35-29(38)21-9-7-20(8-10-21)22-11-12-27(40-3)33-15-22/h4-12,15-16,24,32H,13-14,17-18H2,1-3H3,(H,35,38)
PubChem CID25209048
ChEMBLCHEMBL474470
IUPHARN/A
BindingDB50413008
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
107377Mas-related G-protein coupled receptor member X1Q96LB2MRGPRX1Homo sapiens (Human)322

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