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Ligand

NameCHEMBL477643
Molecular formulaC27H26ClN5O2S
IUPAC nameN-[3-[(5-chloro-6-oxo-4-piperazin-1-ylpyridazin-1-yl)methyl]-2-methylphenyl]-3-thiophen-2-ylbenzamide
Molecular weight520.048
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.0
SynonymsBDBM50412997
Inchi KeyXCLSUCUSUODVIU-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H26ClN5O2S/c1-18-21(17-33-27(35)25(28)23(16-30-33)32-12-10-29-11-13-32)7-3-8-22(18)31-26(34)20-6-2-5-19(15-20)24-9-4-14-36-24/h2-9,14-16,29H,10-13,17H2,1H3,(H,31,34)
PubChem CID25208745
ChEMBLCHEMBL477643
IUPHARN/A
BindingDB50412997
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
388439Mas-related G-protein coupled receptor member X1Q96LB2MRGPRX1Homo sapiens (Human)322

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