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Ligand

NameCHEMBL500240
Molecular formulaC30H30ClN7O4
IUPAC name4-[5-chloro-1-[[3-[[4-(6-methoxypyridin-3-yl)benzoyl]amino]-2-methylphenyl]methyl]-6-oxopyridazin-4-yl]piperazine-2-carboxamide
Molecular weight588.065
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP2.5
SynonymsBDBM50413007
Inchi KeyOACZLQJNFVJISX-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H30ClN7O4/c1-18-22(16-38-30(41)27(31)25(15-35-38)37-13-12-33-24(17-37)28(32)39)4-3-5-23(18)36-29(40)20-8-6-19(7-9-20)21-10-11-26(42-2)34-14-21/h3-11,14-15,24,33H,12-13,16-17H2,1-2H3,(H2,32,39)(H,36,40)
PubChem CID25209537
ChEMBLCHEMBL500240
IUPHARN/A
BindingDB50413007
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
236254Mas-related G-protein coupled receptor member X1Q96LB2MRGPRX1Homo sapiens (Human)322

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