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Ligand

NameCHEMBL244284
Molecular formulaC27H33BrClN7O2
IUPAC name4-bromo-5-[(2-chlorobenzoyl)amino]-1-[2-(dimethylamino)ethyl]-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]pyrazole-3-carboxamide
Molecular weight602.962
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.2
SynonymsBDBM50222679
4-bromo-5-(2-chlorobenzoylamino)-1-(2-dimethylaminoethyl)-1H-pyrazole-3-carboxylic acid [2-(3,4,5,6-tetrahydro-2H-[1,4'']bipyridinyl-4-yl)ethyl]amide
Inchi KeyAWYVOTLFOBPIEN-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H33BrClN7O2/c1-34(2)17-18-36-25(32-26(37)21-5-3-4-6-22(21)29)23(28)24(33-36)27(38)31-14-7-19-10-15-35(16-11-19)20-8-12-30-13-9-20/h3-6,8-9,12-13,19H,7,10-11,14-18H2,1-2H3,(H,31,38)(H,32,37)
PubChem CID23630615
ChEMBLCHEMBL244284
IUPHARN/A
BindingDB50222679
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
16465B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353

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