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Ligand

NameCHEMBL553293
Molecular formulaC33H31Cl3N4O4
IUPAC name(E)-N-[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide;hydrochloride
Molecular weight653.985
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogPNone
SynonymsSCHEMBL7747292
Inchi KeyGQJBLGBNZQAVSX-SJDTYFKWSA-N
Inchi IDInChI=1S/C33H30Cl2N4O4.ClH/c1-21-8-12-23-5-3-6-28(33(23)37-21)43-20-25-26(34)15-16-27(32(25)35)38(2)31(42)19-36-29(40)17-11-22-9-13-24(14-10-22)39-18-4-7-30(39)41;/h3,5-6,8-17H,4,7,18-20H2,1-2H3,(H,36,40);1H/b17-11+;
PubChem CID22112909
ChEMBLCHEMBL553293
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
102674B2 bradykinin receptorO70526BDKRB2Cavia porcellus (Guinea pig)372
102675B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391

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