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Name | CHEMBL2048293 |
---|---|
Molecular formula | C23H15F3N4O4 |
IUPAC name | 2-[6-[5-[3-cyano-5-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid |
Molecular weight | 468.392 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 1 |
XlogP | 4.1 |
Synonyms | SCHEMBL949280 BDBM50386859 HHVPFOZVFPAJBT-UHFFFAOYSA-N 2-(7-(5-(3-Cyano-5-(trifluoromethoxy)phenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetic Acid |
Inchi Key | HHVPFOZVFPAJBT-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(H,31,32) |
PubChem CID | 44138103 |
ChEMBL | CHEMBL2048293 |
IUPHAR | N/A |
BindingDB | 50386859 |
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 |
---|---|---|---|---|---|
115306 | Sphingosine 1-phosphate receptor 1 | O08530 | S1pr1 | Mus musculus (Mouse) | 382 |
115309 | Sphingosine 1-phosphate receptor 1 | P48303 | S1pr1 | Rattus norvegicus (Rat) | 383 |
115310 | Sphingosine 1-phosphate receptor 1 | P21453 | S1PR1 | Homo sapiens (Human) | 382 |
115311 | Sphingosine 1-phosphate receptor 2 | O95136 | S1PR2 | Homo sapiens (Human) | 353 |
115307 | Sphingosine 1-phosphate receptor 3 | Q99500 | S1PR3 | Homo sapiens (Human) | 378 |
115312 | Sphingosine 1-phosphate receptor 4 | O95977 | S1PR4 | Homo sapiens (Human) | 384 |
115308 | Sphingosine 1-phosphate receptor 5 | Q9H228 | S1PR5 | Homo sapiens (Human) | 398 |
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