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Name | CHEMBL89768 |
---|---|
Molecular formula | C26H26ClN2O3S2- |
IUPAC name | 3-[[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-[3-(dimethylamino)-3-oxopropyl]sulfanylmethyl]sulfanylpropanoate |
Molecular weight | 514.075 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 0 |
XlogP | 5.9 |
Synonyms | L-660771 NCGC00163509-02 BDBM50052019 Sodium;3-[{3-[(E)-2-(7-chloro-quinolin-2-yl)-vinyl]-phenyl}-(2-dimethylcarbamoyl-ethylsulfanyl)-methylsulfanyl]-propionate MK-571 [ Show all ] |
Inchi Key | AXUZQJFHDNNPFG-UXBLZVDNSA-M |
Inchi ID | InChI=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 CID | 16760063 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50052019 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
17099 | Cysteinyl leukotriene receptor 1 | Q2NNR5 | CYSLTR1 | Cavia porcellus (Guinea pig) | 340 |
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