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Ligand

NameCHEMBL208247
Molecular formulaC26H26F2N4O3
IUPAC namemethyl 2-fluoro-6-[3-fluoro-4-[[[4-(4-methylpiperazine-1-carbonyl)pyridin-2-yl]amino]methyl]phenyl]benzoate
Molecular weight480.516
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.6
SynonymsBDBM50184198
3,3''-difluoro-4''-{[4-(4-methyl-piperazine-1-carbonyl)-pyridin-2-ylamino]-methyl}-biphenyl-2-carboxylic acid methyl ester
Inchi KeyADQUSMIYDUTJOR-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H26F2N4O3/c1-31-10-12-32(13-11-31)25(33)18-8-9-29-23(15-18)30-16-19-7-6-17(14-22(19)28)20-4-3-5-21(27)24(20)26(34)35-2/h3-9,14-15H,10-13,16H2,1-2H3,(H,29,30)
PubChem CID44411134
ChEMBLCHEMBL208247
IUPHARN/A
BindingDB50184198
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
2986B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353

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