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Ligand

NameCHEMBL89768
Molecular formulaC26H26ClN2O3S2-
IUPAC name3-[[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-[3-(dimethylamino)-3-oxopropyl]sulfanylmethyl]sulfanylpropanoate
Molecular weight514.075
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP5.9
Synonymssodium (E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(3-(dimethylamino)-3-oxopropylthio)methylthio)propanoate
NCGC00163509-01
Sodium; 3-[{3-[(E)-2-(7-chloro-quinolin-2-yl)-vinyl]-phenyl}-(2-dimethylcarbamoyl-ethylsulfanyl)-methylsulfanyl]-propionate
L-660771
NCGC00163509-02
[ Show all ]
Inchi KeyAXUZQJFHDNNPFG-UXBLZVDNSA-M
Inchi IDInChI=1S/C26H27ClN2O3S2/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22/h3-11,16-17,26H,12-15H2,1-2H3,(H,31,32)/p-1/b10-6+
PubChem CID16760063
ChEMBLN/A
IUPHARN/A
BindingDB50052019
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
17099Cysteinyl leukotriene receptor 1Q2NNR5CYSLTR1Cavia porcellus (Guinea pig)340

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