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Ligand

NameCHEMBL222038
Molecular formulaC25H20ClFN6O2
IUPAC nameN-[4-chloro-2-[[(1R)-1-[4-[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethyl]amino]pyridin-3-yl]-2-cyanoacetamide
Molecular weight490.923
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP5.3
SynonymsBDBM50157509
N-(4-chloro-2-{(R)-1-[3''-fluoro-2''-(3-methyl-[1,2,4]oxadiazol-5-yl)-biphenyl-4-yl]-ethylamino}-pyridin-3-yl)-2-cyano-acetamide
Inchi KeySCJWBYXWZGMQHS-CQSZACIVSA-N
Inchi IDInChI=1S/C25H20ClFN6O2/c1-14(30-24-23(19(26)11-13-29-24)32-21(34)10-12-28)16-6-8-17(9-7-16)18-4-3-5-20(27)22(18)25-31-15(2)33-35-25/h3-9,11,13-14H,10H2,1-2H3,(H,29,30)(H,32,34)/t14-/m1/s1
PubChem CID11363856
ChEMBLCHEMBL222038
IUPHARN/A
BindingDB50157509
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
310877B1 bradykinin receptorP97583Bdkrb1Rattus norvegicus (Rat)337
310878B1 bradykinin receptorP48748BDKRB1Oryctolagus cuniculus (Rabbit)352
310879B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353

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