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Ligand

NameCHEMBL540840
Molecular formulaC28H25BrCl2N6O4
IUPAC name(E)-3-(6-acetamidopyridin-3-yl)-N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]prop-2-enamide
Molecular weight660.35
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP5.1
SynonymsSCHEMBL8563222
SCHEMBL8563227
CHEMBL1190430
BDBM50067242
3-(6-Acetylamino-pyridin-3-yl)-N-({[3-(3-bromo-2-methyl-imidazo[1,2-a]pyridin-8-yloxymethyl)-2,4-dichloro-phenyl]-methyl-carbamoyl}-methyl)-acrylamide; Dihydrochloride
Inchi KeyHNPBECOALKXYLQ-YRNVUSSQSA-N
Inchi IDInChI=1S/C28H25BrCl2N6O4/c1-16-27(29)37-12-4-5-22(28(37)34-16)41-15-19-20(30)8-9-21(26(19)31)36(3)25(40)14-33-24(39)11-7-18-6-10-23(32-13-18)35-17(2)38/h4-13H,14-15H2,1-3H3,(H,33,39)(H,32,35,38)/b11-7+
PubChem CID10349737
ChEMBLN/A
IUPHARN/A
BindingDB50067242
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
119548B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391
119549B2 bradykinin receptorO70526BDKRB2Cavia porcellus (Guinea pig)372

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