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Ligand

NameCHEMBL140383
Molecular formulaC37H35N3O3
IUPAC name4-[(E)-3-[[2-[2,4-dimethyl-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]phenyl]methylamino]-3-oxoprop-1-enyl]-N-methylbenzamide
Molecular weight569.705
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP6.9
Synonyms(E)-N-[[2',4'-Dimethyl-3'-[[(2-methylquinoline-8-yl)oxy]methyl]1,1'-biphenyl-2-yl]methyl]-3-[4-[(methylamino)carbonyl]phenyl]propenamide
4-((E)-2-{[2'',4''-Dimethyl-3''-(2-methyl-quinolin-8-yloxymethyl)-biphenyl-2-ylmethyl]-carbamoyl}-vinyl)-N-methyl-benzamide
BDBM50067921
L016695
Inchi KeyAFUNWCBOHPULNY-LTGZKZEYSA-N
Inchi IDInChI=1S/C37H35N3O3/c1-24-12-20-31(26(3)33(24)23-43-34-11-7-9-28-17-13-25(2)40-36(28)34)32-10-6-5-8-30(32)22-39-35(41)21-16-27-14-18-29(19-15-27)37(42)38-4/h5-21H,22-23H2,1-4H3,(H,38,42)(H,39,41)/b21-16+
PubChem CID9894265
ChEMBLCHEMBL140383
IUPHARN/A
BindingDB50067921
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4521B2 bradykinin receptorO70526BDKRB2Cavia porcellus (Guinea pig)372
4522B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391

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