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Name | CHEMBL2181755 |
---|---|
Molecular formula | C22H23ClFNO4 |
IUPAC name | (2S)-2-[2-[3-chloro-4-(2,2-dimethylpyrrolidine-1-carbonyl)phenyl]-4-fluorophenoxy]propanoic acid |
Molecular weight | 419.877 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 4.8 |
Synonyms | (2S)-2-({3'-chloro-4'-[(2,2-dimethylpyrrolidin-1-yl)carbonyl]-5-fluorobiphenyl-2-yl}oxy)propanoic acid BDBM50397642 SCHEMBL4088114 AFIDJUXVZLKEJK-ZDUSSCGKSA-N |
Inchi Key | AFIDJUXVZLKEJK-ZDUSSCGKSA-N |
Inchi ID | InChI=1S/C22H23ClFNO4/c1-13(21(27)28)29-19-8-6-15(24)12-17(19)14-5-7-16(18(23)11-14)20(26)25-10-4-9-22(25,2)3/h5-8,11-13H,4,9-10H2,1-3H3,(H,27,28)/t13-/m0/s1 |
PubChem CID | 44249133 |
ChEMBL | CHEMBL2181755 |
IUPHAR | N/A |
BindingDB | 50397642 |
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 |
---|---|---|---|---|---|
4173 | Prostaglandin D2 receptor 2 | Q9Y5Y4 | PTGDR2 | Homo sapiens (Human) | 395 |
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