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Ligand

NameCHEMBL477431
Molecular formulaC27H26ClN5O2S
IUPAC nameN-[3-[(5-chloro-6-oxo-4-piperazin-1-ylpyridazin-1-yl)methyl]-2-methylphenyl]-4-thiophen-2-ylbenzamide
Molecular weight520.048
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.0
SynonymsBDBM50412995
Inchi KeyFFMUPSTZOVMHKU-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H26ClN5O2S/c1-18-21(17-33-27(35)25(28)23(16-30-33)32-13-11-29-12-14-32)4-2-5-22(18)31-26(34)20-9-7-19(8-10-20)24-6-3-15-36-24/h2-10,15-16,29H,11-14,17H2,1H3,(H,31,34)
PubChem CID25209193
ChEMBLCHEMBL477431
IUPHARN/A
BindingDB50412995
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
77223Mas-related G-protein coupled receptor member X1Q96LB2MRGPRX1Homo sapiens (Human)322

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