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Name | CHEMBL97257 |
---|---|
Molecular formula | C26H27ClN2O3S2 |
IUPAC name | 3-[(S)-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-[3-(dimethylamino)-3-oxopropyl]sulfanylmethyl]sulfanylpropanoic acid |
Molecular weight | 515.083 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 5.3 |
Synonyms | SCHEMBL37247 AJ-45603 3-[{3-[2-(7-Chloro-quinolin-2-yl)-vinyl]-phenyl}-(2-dimethylcarbamoyl-ethylsulfanyl)-methylsulfanyl]-propionic acid UNII-76LB1G2X6V component AXUZQJFHDNNPFG-JORPFSLRSA-N BDBM50013919 [ Show all ] |
Inchi Key | AXUZQJFHDNNPFG-JORPFSLRSA-N |
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)/b10-6+/t26-/m0/s1 |
PubChem CID | 14325224 |
ChEMBL | CHEMBL97257 |
IUPHAR | N/A |
BindingDB | 50013919 |
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 |
---|---|---|---|---|---|
17091 | Cysteinyl leukotriene receptor 1 | Q2NNR5 | CYSLTR1 | Cavia porcellus (Guinea pig) | 340 |
17092 | Cysteinyl leukotriene receptor 1 | Q9Y271 | CYSLTR1 | Homo sapiens (Human) | 337 |
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