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Ligand

NameCHEMBL451657
Molecular formulaC32H29ClN6O2
IUPAC nameN-[3-[(5-chloro-6-oxo-4-piperazin-1-ylpyridazin-1-yl)methyl]-2-methylphenyl]-4-quinolin-8-ylbenzamide
Molecular weight565.074
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.6
SynonymsBDBM50413000
Inchi KeyYXEKTZFDSSZQIH-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H29ClN6O2/c1-21-25(20-39-32(41)29(33)28(19-36-39)38-17-15-34-16-18-38)6-3-9-27(21)37-31(40)24-12-10-22(11-13-24)26-8-2-5-23-7-4-14-35-30(23)26/h2-14,19,34H,15-18,20H2,1H3,(H,37,40)
PubChem CID25209355
ChEMBLCHEMBL451657
IUPHARN/A
BindingDB50413000
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
421435Mas-related G-protein coupled receptor member X1Q96LB2MRGPRX1Homo sapiens (Human)322

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