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Name | CHEMBL393055 |
---|---|
Molecular formula | C20H34NO5P |
IUPAC name | [(2R,4R,5S)-5-(hydroxymethyl)-4-(4-octylphenyl)pyrrolidin-1-ium-2-yl]methyl hydrogen phosphate |
Molecular weight | 399.468 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 3 |
XlogP | 1.0 |
Synonyms | BDBM50197420 (2S,3R,5R)-5-[(hydrogen phosphonatooxy)methyl]-2-(hydroxymethyl)-3-(4-octylphenyl)pyrrolidin-1-ium |
Inchi Key | DKHSWCUVNLYVPR-VAMGGRTRSA-N |
Inchi ID | InChI=1S/C20H34NO5P/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)19-13-18(21-20(19)14-22)15-26-27(23,24)25/h9-12,18-22H,2-8,13-15H2,1H3,(H2,23,24,25)/t18-,19-,20-/m1/s1 |
PubChem CID | 44438256 |
ChEMBL | CHEMBL393055 |
IUPHAR | N/A |
BindingDB | 50197420 |
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 |
---|---|---|---|---|---|
62273 | Sphingosine 1-phosphate receptor 1 | P21453 | S1PR1 | Homo sapiens (Human) | 382 |
62275 | Sphingosine 1-phosphate receptor 3 | Q99500 | S1PR3 | Homo sapiens (Human) | 378 |
62276 | Sphingosine 1-phosphate receptor 4 | O95977 | S1PR4 | Homo sapiens (Human) | 384 |
62274 | Sphingosine 1-phosphate receptor 5 | Q9H228 | S1PR5 | Homo sapiens (Human) | 398 |
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