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Ligand

NameCHEMBL448975
Molecular formulaC31H31ClN6O3
IUPAC nameN-[3-[[5-chloro-4-[(1S,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-oxopyridazin-1-yl]methyl]-2-methylphenyl]-4-(6-methoxypyridin-3-yl)benzamide
Molecular weight571.078
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.3
SynonymsBDBM50413004
Inchi KeyYBHJURJWBBFPSN-RPBOFIJWSA-N
Inchi IDInChI=1S/C31H31ClN6O3/c1-19-23(16-38-31(40)29(32)27(15-34-38)37-18-24-13-25(37)17-36(24)2)5-4-6-26(19)35-30(39)21-9-7-20(8-10-21)22-11-12-28(41-3)33-14-22/h4-12,14-15,24-25H,13,16-18H2,1-3H3,(H,35,39)/t24-,25+/m1/s1
PubChem CID25209535
ChEMBLCHEMBL448975
IUPHARN/A
BindingDB50413004
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
405930Mas-related G-protein coupled receptor member X1Q96LB2MRGPRX1Homo sapiens (Human)322

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