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Ligand

NameCHEMBL603907
Molecular formulaC20H20ClF2N7O2
IUPAC name3-[[5-[5-chloro-3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]-3-fluoropyridin-2-yl]methyl]-1-cyclopentyl-1-hydroxyurea
Molecular weight463.874
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP3.1
SynonymsBDBM50309619
3-((5''-chloro-3,3''-difluoro-2''-(2-methyl-2H-tetrazol-5-yl)biphenyl-4-yl)methyl)-1-cyclopentyl-1-hydroxyurea
Inchi KeyAAMVCIFGAZHOPV-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H20ClF2N7O2/c1-29-27-19(26-28-29)18-14(7-12(21)8-16(18)23)11-6-15(22)17(24-9-11)10-25-20(31)30(32)13-4-2-3-5-13/h6-9,13,32H,2-5,10H2,1H3,(H,25,31)
PubChem CID46230941
ChEMBLCHEMBL603907
IUPHARN/A
BindingDB50309619
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
348B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353

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