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Name | CHEMBL1916559 |
---|---|
Molecular formula | C22H15F6N3O4 |
IUPAC name | 4-[5-[5-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]-4-oxobutanoic acid |
Molecular weight | 499.369 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 1 |
XlogP | 4.1 |
Synonyms | BDBM50357781 SCHEMBL4421450 |
Inchi Key | YGAMOUONCVBLTE-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H15F6N3O4/c23-21(24,25)14-8-13(9-15(10-14)22(26,27)28)20-29-19(30-35-20)12-1-2-16-11(7-12)5-6-31(16)17(32)3-4-18(33)34/h1-2,7-10H,3-6H2,(H,33,34) |
PubChem CID | 44547414 |
ChEMBL | CHEMBL1916559 |
IUPHAR | N/A |
BindingDB | 50357781 |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
409253 | Sphingosine 1-phosphate receptor 1 | P48303 | S1pr1 | Rattus norvegicus (Rat) | 383 |
409254 | Sphingosine 1-phosphate receptor 1 | P21453 | S1PR1 | Homo sapiens (Human) | 382 |
409255 | Sphingosine 1-phosphate receptor 1 | O08530 | S1pr1 | Mus musculus (Mouse) | 382 |
409256 | Sphingosine 1-phosphate receptor 2 | O95136 | S1PR2 | Homo sapiens (Human) | 353 |
409251 | Sphingosine 1-phosphate receptor 3 | Q99500 | S1PR3 | Homo sapiens (Human) | 378 |
409250 | Sphingosine 1-phosphate receptor 4 | O95977 | S1PR4 | Homo sapiens (Human) | 384 |
409252 | Sphingosine 1-phosphate receptor 5 | Q9H228 | S1PR5 | Homo sapiens (Human) | 398 |
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