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Name | CHEMBL260672 |
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Molecular formula | C20H13Cl2FN2O5 |
IUPAC name | 2-[(3R)-5-chloro-1'-[(5-chloro-2-fluorophenyl)methyl]-2,2',5'-trioxospiro[indole-3,3'-pyrrolidine]-1-yl]acetic acid |
Molecular weight | 451.231 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 2.4 |
Synonyms | BDBM21610 SCHEMBL2483474 2-[(3R)-5-chloro-1''-[(5-chloro-2-fluorophenyl)methyl]-1,2-dihydrospiro[indole-3,3''-pyrrolidine]-2,2'',5''-trione]acetic acid Spiro-indolinone analogue, (R)-71 ZINC14976697 |
Inchi Key | IXKFWNVFUXXEFY-HXUWFJFHSA-N |
Inchi ID | InChI=1S/C20H13Cl2FN2O5/c21-11-1-3-14(23)10(5-11)8-25-16(26)7-20(19(25)30)13-6-12(22)2-4-15(13)24(18(20)29)9-17(27)28/h1-6H,7-9H2,(H,27,28)/t20-/m1/s1 |
PubChem CID | 24776306 |
ChEMBL | CHEMBL260672 |
IUPHAR | N/A |
BindingDB | 21610 |
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 |
---|---|---|---|---|---|
144068 | Prostaglandin D2 receptor | Q13258 | PTGDR | Homo sapiens (Human) | 359 |
144067 | Prostaglandin D2 receptor 2 | Q9Y5Y4 | PTGDR2 | Homo sapiens (Human) | 395 |
144069 | Prostaglandin D2 receptor 2 | Q9Z2J6 | Ptgdr2 | Mus musculus (Mouse) | 382 |
144066 | Prostaglandin E2 receptor EP2 subtype | P43116 | PTGER2 | Homo sapiens (Human) | 358 |
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