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Ligand

NameCHEMBL130775
Molecular formulaC35H33N3O3S
IUPAC name4-[(E)-3-[[3-[2,4-dimethyl-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]thiophen-2-yl]methylamino]-3-oxoprop-1-enyl]-N-methylbenzamide
Molecular weight575.727
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP6.6
Synonyms(E)-N-[[3-[2,4-Dimethyl-3-[[(2-methylquinoline-8-yl)oxy]methyl]phenyl]thiophene-2-yl]methyl]-3-[4-[(methylamino)carbonyl]phenyl]propenamide
4-[(E)-2-({3-[2,4-Dimethyl-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-thiophen-2-ylmethyl}-carbamoyl)-vinyl]-N-methyl-benzamide
BDBM50067919
L016696
Inchi KeyGEDBHIQVLMPYSQ-SFQUDFHCSA-N
Inchi IDInChI=1S/C35H33N3O3S/c1-22-8-16-28(24(3)30(22)21-41-31-7-5-6-26-13-9-23(2)38-34(26)31)29-18-19-42-32(29)20-37-33(39)17-12-25-10-14-27(15-11-25)35(40)36-4/h5-19H,20-21H2,1-4H3,(H,36,40)(H,37,39)/b17-12+
PubChem CID10769485
ChEMBLCHEMBL130775
IUPHARN/A
BindingDB50067919
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
94219B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391
94220B2 bradykinin receptorO70526BDKRB2Cavia porcellus (Guinea pig)372

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