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Ligand

NameCHEMBL449189
Molecular formulaC32H29ClN6O2
IUPAC nameN-[3-[(5-chloro-6-oxo-4-piperazin-1-ylpyridazin-1-yl)methyl]-2-methylphenyl]-4-quinolin-6-ylbenzamide
Molecular weight565.074
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.6
SynonymsBDBM50412999
Inchi KeyLDFHMYVFAPMKFW-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H29ClN6O2/c1-21-26(20-39-32(41)30(33)29(19-36-39)38-16-14-34-15-17-38)4-2-6-27(21)37-31(40)23-9-7-22(8-10-23)24-11-12-28-25(18-24)5-3-13-35-28/h2-13,18-19,34H,14-17,20H2,1H3,(H,37,40)
PubChem CID25208894
ChEMBLCHEMBL449189
IUPHARN/A
BindingDB50412999
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
184565Mas-related G-protein coupled receptor member X1Q96LB2MRGPRX1Homo sapiens (Human)322

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