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Ligand

NameCHEMBL477008
Molecular formulaC29H29N5O2
IUPAC nameN-[2-methyl-3-[(6-oxo-4-piperazin-1-ylpyridazin-1-yl)methyl]phenyl]-4-phenylbenzamide
Molecular weight479.584
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.5
SynonymsBDBM50412988
Inchi KeyMAQUYJAFLAKYAE-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H29N5O2/c1-21-25(20-34-28(35)18-26(19-31-34)33-16-14-30-15-17-33)8-5-9-27(21)32-29(36)24-12-10-23(11-13-24)22-6-3-2-4-7-22/h2-13,18-19,30H,14-17,20H2,1H3,(H,32,36)
PubChem CID25209050
ChEMBLCHEMBL477008
IUPHARN/A
BindingDB50412988
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
2009415-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
2009395-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
2009405-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
200942Mas-related G-protein coupled receptor member X1Q96LB2MRGPRX1Homo sapiens (Human)322

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