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Ligand

NameCHEMBL543659
Molecular formulaC34H31Cl5N6O4
IUPAC name5-[(E)-3-[[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-pyridin-4-ylpyridine-2-carboxamide;trihydrochloride
Molecular weight764.91
Hydrogen bond acceptor7
Hydrogen bond donor5
XlogPNone
SynonymsN/A
Inchi KeyCIQZAYIRXAFBCL-YKWNPSABSA-N
Inchi IDInChI=1S/C34H28Cl2N6O4.3ClH/c1-21-6-9-23-4-3-5-29(33(23)40-21)46-20-25-26(35)10-12-28(32(25)36)42(2)31(44)19-39-30(43)13-8-22-7-11-27(38-18-22)34(45)41-24-14-16-37-17-15-24;;;/h3-18H,19-20H2,1-2H3,(H,39,43)(H,37,41,45);3*1H/b13-8+;;;
PubChem CID45261901
ChEMBLCHEMBL543659
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
42910B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391
42911B2 bradykinin receptorO70526BDKRB2Cavia porcellus (Guinea pig)372

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