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Ligand

NameCHEMBL544601
Molecular formulaC29H26Cl3N3O3
IUPAC name(E)-N-[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]-3-phenylprop-2-enamide;hydrochloride
Molecular weight570.895
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogPNone
SynonymsSCHEMBL7748220
Inchi KeyAOZUWOHAZYLXRV-CLNHMMGSSA-N
Inchi IDInChI=1S/C29H25Cl2N3O3.ClH/c1-19-11-13-21-9-6-10-25(29(21)33-19)37-18-22-23(30)14-15-24(28(22)31)34(2)27(36)17-32-26(35)16-12-20-7-4-3-5-8-20;/h3-16H,17-18H2,1-2H3,(H,32,35);1H/b16-12+;
PubChem CID22113233
ChEMBLCHEMBL544601
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
10790B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391
10791B2 bradykinin receptorO70526BDKRB2Cavia porcellus (Guinea pig)372

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