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Ligand

NameCHEMBL598868
Molecular formulaC15H12ClF2N7O2
IUPAC name1-[[5-[5-chloro-3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]-3-fluoropyridin-2-yl]methyl]-3-hydroxyurea
Molecular weight395.755
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP1.7
SynonymsBDBM50309614
SCHEMBL13213913
1-((5''-chloro-3,3''-difluoro-2''-(2-methyl-2H-tetrazol-5-yl)biphenyl-4-yl)methyl)-3-hydroxyurea
Inchi KeyBZNHUFACHKTUTC-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H12ClF2N7O2/c1-25-22-14(21-24-25)13-9(3-8(16)4-11(13)18)7-2-10(17)12(19-5-7)6-20-15(26)23-27/h2-5,27H,6H2,1H3,(H2,20,23,26)
PubChem CID46230892
ChEMBLCHEMBL598868
IUPHARN/A
BindingDB50309614
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
36614B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353

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