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Ligand

NameCHEMBL604999
Molecular formulaC24H18ClF2N7O4
IUPAC nameN-[5-[[4-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorophenyl]methylamino]-1H-pyrazol-4-yl]-3-methoxy-1,2-oxazole-5-carboxamide
Molecular weight541.9
Hydrogen bond acceptor11
Hydrogen bond donor3
XlogP4.7
SynonymsBDBM50309024
N-(3-((5''-chloro-3,3''-difluoro-2''-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-yl)methylamino)-1H-pyrazol-4-yl)-3-methoxyisoxazole-5-carboxamide
Inchi KeyCKDCETIXLNSACD-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H18ClF2N7O4/c1-11-30-23(34-37-11)21-15(6-14(25)7-17(21)27)12-3-4-13(16(26)5-12)9-28-22-18(10-29-32-22)31-24(35)19-8-20(36-2)33-38-19/h3-8,10H,9H2,1-2H3,(H,31,35)(H2,28,29,32)
PubChem CID46230354
ChEMBLCHEMBL604999
IUPHARN/A
BindingDB50309024
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
43927B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353

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