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Ligand

NameCHEMBL456481
Molecular formulaC23H30ClN5O2
IUPAC nameN-[3-[(5-chloro-6-oxo-4-piperazin-1-ylpyridazin-1-yl)methyl]-2-methylphenyl]cyclohexanecarboxamide
Molecular weight443.976
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.1
SynonymsBDBM50412990
Inchi KeyMIHOQPRBLAIHGB-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H30ClN5O2/c1-16-18(8-5-9-19(16)27-22(30)17-6-3-2-4-7-17)15-29-23(31)21(24)20(14-26-29)28-12-10-25-11-13-28/h5,8-9,14,17,25H,2-4,6-7,10-13,15H2,1H3,(H,27,30)
PubChem CID25208742
ChEMBLCHEMBL456481
IUPHARN/A
BindingDB50412990
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
206204Mas-related G-protein coupled receptor member X1Q96LB2MRGPRX1Homo sapiens (Human)322

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