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Ligand

NameCHEMBL475077
Molecular formulaC30H31ClN6O3
IUPAC nameN-[3-[[5-chloro-4-(1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]methyl]-2-methylphenyl]-4-(6-methoxypyridin-3-yl)benzamide
Molecular weight559.067
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.9
SynonymsBDBM50413002
Inchi KeyCFQMBBYXJVWGFE-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H31ClN6O3/c1-20-24(19-37-30(39)28(31)26(18-34-37)36-15-4-13-32-14-16-36)5-3-6-25(20)35-29(38)22-9-7-21(8-10-22)23-11-12-27(40-2)33-17-23/h3,5-12,17-18,32H,4,13-16,19H2,1-2H3,(H,35,38)
PubChem CID25209534
ChEMBLCHEMBL475077
IUPHARN/A
BindingDB50413002
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
40890Mas-related G-protein coupled receptor member X1Q96LB2MRGPRX1Homo sapiens (Human)322

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