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Ligand

NameCHEMBL208210
Molecular formulaC31H28F2N4O3
IUPAC namemethyl 2-fluoro-6-[3-fluoro-4-[[[5-(4-phenylpiperazine-1-carbonyl)pyridin-2-yl]amino]methyl]phenyl]benzoate
Molecular weight542.587
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP5.4
SynonymsBDBM50184177
3,3''-difluoro-4''-{[5-(4-phenyl-piperazine-1-carbonyl)-pyridin-2-ylamino]-methyl}-biphenyl-2-carboxylic acid methyl ester
Inchi KeyAKJUJRLIQNQUAA-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H28F2N4O3/c1-40-31(39)29-25(8-5-9-26(29)32)21-10-11-22(27(33)18-21)19-34-28-13-12-23(20-35-28)30(38)37-16-14-36(15-17-37)24-6-3-2-4-7-24/h2-13,18,20H,14-17,19H2,1H3,(H,34,35)
PubChem CID44411245
ChEMBLCHEMBL208210
IUPHARN/A
BindingDB50184177
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
7610B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353

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