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Ligand

NameCHEMBL131263
Molecular formulaC32H30Cl2N4O4
IUPAC name3-[(E)-3-[[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N,N-dimethylbenzamide
Molecular weight605.516
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.6
SynonymsBDBM50067312
3-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N,N-dimethyl-benzamide
Inchi KeyFMOTVGFHOWYAHD-FOWTUZBSSA-N
Inchi IDInChI=1S/C32H30Cl2N4O4/c1-20-11-13-22-8-6-10-27(31(22)36-20)42-19-24-25(33)14-15-26(30(24)34)38(4)29(40)18-35-28(39)16-12-21-7-5-9-23(17-21)32(41)37(2)3/h5-17H,18-19H2,1-4H3,(H,35,39)/b16-12+
PubChem CID11801800
ChEMBLCHEMBL131263
IUPHARN/A
BindingDB50067312
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
82098B2 bradykinin receptorO70526BDKRB2Cavia porcellus (Guinea pig)372
82099B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391

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