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Ligand

NameCHEMBL3808880
Molecular formulaC29H18Cl3N3O3
IUPAC name4,6-dichloro-3-[(E)-3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]anilino]-3-oxoprop-1-enyl]-1H-indole-2-carboxylic acid
Molecular weight562.831
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP7.6
SynonymsBDBM50172349
Inchi KeyJMUFNCJAXSBRSD-IBYINHFXSA-N
Inchi IDInChI=1S/C29H18Cl3N3O3/c30-18-7-5-17-6-9-20(33-24(17)14-18)8-4-16-2-1-3-21(12-16)34-26(36)11-10-22-27-23(32)13-19(31)15-25(27)35-28(22)29(37)38/h1-15,35H,(H,34,36)(H,37,38)/b8-4+,11-10+
PubChem CID127043049
ChEMBLCHEMBL3808880
IUPHARN/A
BindingDB50172349
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
525935Cysteinyl leukotriene receptor 1Q9Y271CYSLTR1Homo sapiens (Human)337
525936Cysteinyl leukotriene receptor 2Q9NS75CYSLTR2Homo sapiens (Human)346

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