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Ligand

NameBMS-488043
Molecular formulaC22H22N4O5
IUPAC name1-(4-benzoylpiperazin-1-yl)-2-(4,7-dimethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
Molecular weight422.441
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP1.5
SynonymsBMS 043
UNII-MKS21EJ435
452296-83-2
1-(4-benzoylpiperazin-1-yl)-2-(4,7-dimethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
BMS043
[ Show all ]
Inchi KeyDBPMWRYLTBNCCE-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H22N4O5/c1-30-16-13-24-20(31-2)18-17(16)15(12-23-18)19(27)22(29)26-10-8-25(9-11-26)21(28)14-6-4-3-5-7-14/h3-7,12-13,23H,8-11H2,1-2H3
PubChem CID507806
ChEMBLN/A
IUPHARN/A
BindingDBN/A
DrugBankDB05532

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
548523Free fatty acid receptor 4Q5NUL3FFAR4Homo sapiens (Human)377

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