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Name | Spiro-indolinone analogue, 89 |
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Molecular formula | C20H17ClN2O4 |
IUPAC name | 2-(1'-benzyl-5-chloro-2,2'-dioxospiro[indole-3,4'-pyrrolidine]-1-yl)acetic acid |
Molecular weight | 384.816 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 1.7 |
Synonyms | BDBM21597 SCHEMBL2480425 2-{1''-benzyl-5-chloro-1,2-dihydrospiro[indole-3,3''-pyrrolidine]-2,5''-dione}acetic acid CHEMBL258751 |
Inchi Key | BDWQUHFLKUXBHZ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H17ClN2O4/c21-14-6-7-16-15(8-14)20(19(27)23(16)11-18(25)26)9-17(24)22(12-20)10-13-4-2-1-3-5-13/h1-8H,9-12H2,(H,25,26) |
PubChem CID | 24776296 |
ChEMBL | CHEMBL258751 |
IUPHAR | N/A |
BindingDB | 21597 |
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 |
---|---|---|---|---|---|
21312 | Prostaglandin D2 receptor 2 | Q9Y5Y4 | PTGDR2 | Homo sapiens (Human) | 395 |
21313 | Prostaglandin D2 receptor 2 | Q9Z2J6 | Ptgdr2 | Mus musculus (Mouse) | 382 |
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