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Ligand

NameCHEMBL589819
Molecular formulaC24H21ClF2N6O5
IUPAC name3-[[4-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorophenyl]methyl]-1-ethyl-1-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]urea
Molecular weight546.916
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogP4.4
SynonymsBDBM50309000
N-((5''-chloro-3,3''-difluoro-2''-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-yl)methyl)-1-ethyl-2-(3-methoxyisoxazole-5-carbonyl)hydrazinecarboxamide
Inchi KeyAGCQXBIRJFMROF-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H21ClF2N6O5/c1-4-33(30-23(34)19-10-20(36-3)31-38-19)24(35)28-11-14-6-5-13(7-17(14)26)16-8-15(25)9-18(27)21(16)22-29-12(2)37-32-22/h5-10H,4,11H2,1-3H3,(H,28,35)(H,30,34)
PubChem CID46230119
ChEMBLCHEMBL589819
IUPHARN/A
BindingDB50309000
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
4770B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353

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