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Ligand

NameCHEMBL517029
Molecular formulaC29H32ClN7O2
IUPAC nameN-[3-[(5-chloro-6-oxo-4-piperazin-1-ylpyridazin-1-yl)methyl]-2-methylphenyl]-1-(4-cyanophenyl)piperidine-4-carboxamide
Molecular weight546.072
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.0
SynonymsBDBM50412994
Inchi KeyYZFZSTLDYUGIKG-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H32ClN7O2/c1-20-23(19-37-29(39)27(30)26(18-33-37)36-15-11-32-12-16-36)3-2-4-25(20)34-28(38)22-9-13-35(14-10-22)24-7-5-21(17-31)6-8-24/h2-8,18,22,32H,9-16,19H2,1H3,(H,34,38)
PubChem CID25208744
ChEMBLCHEMBL517029
IUPHARN/A
BindingDB50412994
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
422881Mas-related G-protein coupled receptor member X1Q96LB2MRGPRX1Homo sapiens (Human)322

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