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Name | CHEMBL1778639 |
---|---|
Molecular formula | C18H17F3O5S |
IUPAC name | 2-[2-(4-ethylsulfonyl-2-methylphenyl)-4-(trifluoromethyl)phenoxy]acetic acid |
Molecular weight | 402.384 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 1 |
XlogP | 4.0 |
Synonyms | BDBM50344991 SCHEMBL1690240 2-(4''-(ethylsulfonyl)-2''-methyl-5-(trifluoromethyl)biphenyl-2-yloxy)acetic acid |
Inchi Key | KDOSMMYSHYZFQE-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C18H17F3O5S/c1-3-27(24,25)13-5-6-14(11(2)8-13)15-9-12(18(19,20)21)4-7-16(15)26-10-17(22)23/h4-9H,3,10H2,1-2H3,(H,22,23) |
PubChem CID | 53359023 |
ChEMBL | CHEMBL1778639 |
IUPHAR | N/A |
BindingDB | 50344991 |
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 |
---|---|---|---|---|---|
166562 | Prostaglandin D2 receptor 2 | Q9Y5Y4 | PTGDR2 | Homo sapiens (Human) | 395 |
166563 | Prostaglandin D2 receptor 2 | Q9Z2J6 | Ptgdr2 | Mus musculus (Mouse) | 382 |
166564 | Prostaglandin D2 receptor 2 | Q6XKD3 | Ptgdr2 | Rattus norvegicus (Rat) | 403 |
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