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Name | CHEMBL165010 |
---|---|
Molecular formula | C17H16O2S |
IUPAC name | (E)-3-[2-[(4-methylsulfanylphenyl)methyl]phenyl]prop-2-enoic acid |
Molecular weight | 284.373 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 4.3 |
Synonyms | (E)-3-[2-(4-Methylsulfanyl-benzyl)-phenyl]-acrylic acid BDBM50097794 SCHEMBL7929810 2-[4-(Methylthio)benzyl]benzeneacrylic acid SCHEMBL7929816 |
Inchi Key | GTCWHZLORAMXKL-DHZHZOJOSA-N |
Inchi ID | InChI=1S/C17H16O2S/c1-20-16-9-6-13(7-10-16)12-15-5-3-2-4-14(15)8-11-17(18)19/h2-11H,12H2,1H3,(H,18,19)/b11-8+ |
PubChem CID | 9817292 |
ChEMBL | CHEMBL165010 |
IUPHAR | N/A |
BindingDB | 50097794 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
104731 | Prostacyclin receptor | P43119 | PTGIR | Homo sapiens (Human) | 386 |
104735 | Prostaglandin D2 receptor | Q13258 | PTGDR | Homo sapiens (Human) | 359 |
104737 | Prostaglandin E2 receptor EP1 subtype | P34995 | PTGER1 | Homo sapiens (Human) | 402 |
104732 | Prostaglandin E2 receptor EP2 subtype | P43116 | PTGER2 | Homo sapiens (Human) | 358 |
104734 | Prostaglandin E2 receptor EP3 subtype | P43115 | PTGER3 | Homo sapiens (Human) | 390 |
104736 | Prostaglandin E2 receptor EP4 subtype | P35408 | PTGER4 | Homo sapiens (Human) | 488 |
104738 | Prostaglandin F2-alpha receptor | P43088 | PTGFR | Homo sapiens (Human) | 359 |
104733 | Thromboxane A2 receptor | P21731 | TBXA2R | Homo sapiens (Human) | 343 |
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