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Name | SCHEMBL507891 |
---|---|
Molecular formula | C22H21F3N2O4S |
IUPAC name | 2-[3,5-dimethyl-1-[[4-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]phenyl]methyl]pyrazol-4-yl]acetic acid |
Molecular weight | 466.475 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 1 |
XlogP | 3.7 |
Synonyms | US8791272, 16.3 CHEMBL3686049 BDBM127292 |
Inchi Key | ACAQKLCGPSVGRZ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H21F3N2O4S/c1-14-20(11-21(28)29)15(2)27(26-14)12-16-3-5-17(6-4-16)13-32(30,31)19-9-7-18(8-10-19)22(23,24)25/h3-10H,11-13H2,1-2H3,(H,28,29) |
PubChem CID | 58071759 |
ChEMBL | CHEMBL3686049 |
IUPHAR | N/A |
BindingDB | 127292 |
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 |
---|---|---|---|---|---|
1376 | Prostaglandin D2 receptor 2 | Q9Y5Y4 | PTGDR2 | Homo sapiens (Human) | 395 |
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