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Name | SCHEMBL1569470 |
---|---|
Molecular formula | C24H17ClN2O5 |
IUPAC name | 7-[4-[(4-chlorophenyl)carbamoyl]phenoxy]-6-cyano-3,4-dihydro-2H-chromene-4-carboxylic acid |
Molecular weight | 448.859 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 4.2 |
Synonyms | 7-(4-(4-Chlorophenylcarbamoyl)phenoxy)-6-cyanochroman-4-carboxylic acid US9556139, 74 BDBM231153 |
Inchi Key | ASZOOHXHMCMZHW-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C24H17ClN2O5/c25-16-3-5-17(6-4-16)27-23(28)14-1-7-18(8-2-14)32-21-12-22-20(11-15(21)13-26)19(24(29)30)9-10-31-22/h1-8,11-12,19H,9-10H2,(H,27,28)(H,29,30) |
PubChem CID | 44599098 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 231153 |
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 |
---|---|---|---|---|---|
557656 | Prostaglandin D2 receptor 2 | Q9Y5Y4 | PTGDR2 | Homo sapiens (Human) | 395 |
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