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Ligand

NameCHEMBL112360
Molecular formulaC32H33N3O5
IUPAC name(E)-N-[2-[2,4-dimethoxy-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]-3-(3-methylphenyl)prop-2-enamide
Molecular weight539.632
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.2
SynonymsBDBM50074981
(E)-N-({[2,4-Dimethoxy-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-3-m-tolyl-acrylamide
Inchi KeyBAAOCYOMRORTSI-GHRIWEEISA-N
Inchi IDInChI=1S/C32H33N3O5/c1-21-8-6-9-23(18-21)13-17-29(36)33-19-30(37)35(3)26-15-16-27(38-4)25(32(26)39-5)20-40-28-11-7-10-24-14-12-22(2)34-31(24)28/h6-18H,19-20H2,1-5H3,(H,33,36)/b17-13+
PubChem CID44341060
ChEMBLCHEMBL112360
IUPHARN/A
BindingDB50074981
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
18679B2 bradykinin receptorO70526BDKRB2Cavia porcellus (Guinea pig)372
18680B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391

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