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Ligand

NameMK-0686
Molecular formulaC22H19ClF4N2O4
IUPAC namemethyl 2-chloro-6-[3-fluoro-4-[(1R)-1-[[1-[(2,2,2-trifluoroacetyl)amino]cyclopropanecarbonyl]amino]ethyl]phenyl]benzoate
Molecular weight486.848
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP4.5
Synonyms3-Chloro-3''-fluoro-4''-((R)-1-{[1-(2,2,2-trifluoro-acetylamino)-cyclopropanecarbonyl]-amino}-ethyl)-biphenyl-2-carboxylic acid methyl ester
DTXSID20206587
578727-68-1
CHEMBL232943
UNII-M310323W0U
[ Show all ]
Inchi KeyWZZIQHIQMWJNLU-LLVKDONJSA-N
Inchi IDInChI=1S/C22H19ClF4N2O4/c1-11(28-19(31)21(8-9-21)29-20(32)22(25,26)27)13-7-6-12(10-16(13)24)14-4-3-5-15(23)17(14)18(30)33-2/h3-7,10-11H,8-9H2,1-2H3,(H,28,31)(H,29,32)/t11-/m1/s1
PubChem CID16102897
ChEMBLCHEMBL232943
IUPHARN/A
BindingDB50202412
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
386704B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353
386705B1 bradykinin receptorP97583Bdkrb1Rattus norvegicus (Rat)337
386706B1 bradykinin receptorP48748BDKRB1Oryctolagus cuniculus (Rabbit)352

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