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Name | CHEMBL260013 |
---|---|
Molecular formula | C20H15Cl2FN2O4 |
IUPAC name | 2-[(3S)-5-chloro-1'-[(5-chloro-2-fluorophenyl)methyl]-2,2'-dioxospiro[indole-3,4'-pyrrolidine]-1-yl]acetic acid |
Molecular weight | 437.248 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 2.5 |
Synonyms | BDBM21611 Spiro-indolinone analogue, (S)-90 2-[(3S)-5-chloro-1''-[(5-chloro-2-fluorophenyl)methyl]-1,2-dihydrospiro[indole-3,3''-pyrrolidine]-2,5''-dione]acetic acid |
Inchi Key | ABVCZPJCOYQLBK-HXUWFJFHSA-N |
Inchi ID | InChI=1S/C20H15Cl2FN2O4/c21-12-1-3-15(23)11(5-12)8-24-10-20(7-17(24)26)14-6-13(22)2-4-16(14)25(19(20)29)9-18(27)28/h1-6H,7-10H2,(H,27,28)/t20-/m1/s1 |
PubChem CID | 24776307 |
ChEMBL | CHEMBL260013 |
IUPHAR | N/A |
BindingDB | 21611 |
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 |
---|---|---|---|---|---|
1211 | Prostaglandin D2 receptor 2 | Q9Z2J6 | Ptgdr2 | Mus musculus (Mouse) | 382 |
1212 | Prostaglandin D2 receptor 2 | Q9Y5Y4 | PTGDR2 | Homo sapiens (Human) | 395 |
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