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Name | CHEMBL115505 |
---|---|
Molecular formula | C17H37N2O6P |
IUPAC name | [(2S)-2-amino-3-oxo-3-(tetradecoxyamino)propyl] dihydrogen phosphate |
Molecular weight | 396.465 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 4 |
XlogP | 1.3 |
Synonyms | CHEMBL1180159 BDBM50133420 Phosphoric acid mono-((S)-2-amino-2-tetradecyloxycarbamoyl-ethyl) ester; TFA |
Inchi Key | DBSAALJIWXWPJI-INIZCTEOSA-N |
Inchi ID | InChI=1S/C17H37N2O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-24-19-17(20)16(18)15-25-26(21,22)23/h16H,2-15,18H2,1H3,(H,19,20)(H2,21,22,23)/t16-/m0/s1 |
PubChem CID | 44342246 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50133420 |
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 |
---|---|---|---|---|---|
55964 | Sphingosine 1-phosphate receptor 1 | P21453 | S1PR1 | Homo sapiens (Human) | 382 |
55966 | Sphingosine 1-phosphate receptor 2 | O95136 | S1PR2 | Homo sapiens (Human) | 353 |
55963 | Sphingosine 1-phosphate receptor 3 | Q99500 | S1PR3 | Homo sapiens (Human) | 378 |
55965 | Sphingosine 1-phosphate receptor 5 | Q9H228 | S1PR5 | Homo sapiens (Human) | 398 |
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