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Ligand

NameCHEMBL544720
Molecular formulaC39H39ClN4O4
IUPAC nameN-methyl-4-[(E)-3-oxo-3-[[2-oxo-2-[N,2,4-trimethyl-3-[(2-methyl-4-phenylquinolin-8-yl)oxymethyl]anilino]ethyl]amino]prop-1-enyl]benzamide;hydrochloride
Molecular weight663.215
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogPNone
SynonymsN/A
Inchi KeyABPNSOGFLXSOHW-DIRYEVLESA-N
Inchi IDInChI=1S/C39H38N4O4.ClH/c1-25-14-20-34(43(5)37(45)23-41-36(44)21-17-28-15-18-30(19-16-28)39(46)40-4)27(3)33(25)24-47-35-13-9-12-31-32(22-26(2)42-38(31)35)29-10-7-6-8-11-29;/h6-22H,23-24H2,1-5H3,(H,40,46)(H,41,44);1H/b21-17+;
PubChem CID45259996
ChEMBLCHEMBL544720
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
1064B2 bradykinin receptorO70526BDKRB2Cavia porcellus (Guinea pig)372
1065B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391

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