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Ligand

NameCHEMBL218605
Molecular formulaC23H19F5N4O3
IUPAC nameN-[(1R)-1-[2-fluoro-4-[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide
Molecular weight494.422
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogP4.4
SynonymsBDBM50202409
N-{(1R)-1-[3,3''-difluoro-2''-(3-methyl-1,2,4-oxadiazol-5-yl)-1,1''-biphenyl-4-yl]ethyl}-1-[(trifluoroacetyl)amino]cyclopropanecarboxamide
SCHEMBL6181950
Inchi KeyCGBPIPCJBPSCOI-LLVKDONJSA-N
Inchi IDInChI=1S/C23H19F5N4O3/c1-11(29-20(33)22(8-9-22)31-21(34)23(26,27)28)14-7-6-13(10-17(14)25)15-4-3-5-16(24)18(15)19-30-12(2)32-35-19/h3-7,10-11H,8-9H2,1-2H3,(H,29,33)(H,31,34)/t11-/m1/s1
PubChem CID10217706
ChEMBLCHEMBL218605
IUPHARN/A
BindingDB50202409
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
41168B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353

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