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Ligand

NameCHEMBL457789
Molecular formulaC30H30ClN5O2
IUPAC nameN-[3-[(5-chloro-6-oxo-4-piperazin-1-ylpyridazin-1-yl)methyl]-2-methylphenyl]-2,2-diphenylacetamide
Molecular weight528.053
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.3
SynonymsBDBM50412993
Inchi KeyWOIXJLRZNJNXII-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H30ClN5O2/c1-21-24(20-36-30(38)28(31)26(19-33-36)35-17-15-32-16-18-35)13-8-14-25(21)34-29(37)27(22-9-4-2-5-10-22)23-11-6-3-7-12-23/h2-14,19,27,32H,15-18,20H2,1H3,(H,34,37)
PubChem CID25209192
ChEMBLCHEMBL457789
IUPHARN/A
BindingDB50412993
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
378364Mas-related G-protein coupled receptor member X1Q96LB2MRGPRX1Homo sapiens (Human)322

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