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Name | CHEMBL227851 |
---|---|
Molecular formula | C18H31N2O4P |
IUPAC name | [(3R)-3-amino-4-(4-octylanilino)-4-oxobutyl]phosphonic acid |
Molecular weight | 370.43 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 4 |
XlogP | 0.5 |
Synonyms | BDBM50198834 [3-amino-3-(4-octylphenylcarbamoyl)propyl]-phosphonic acid |
Inchi Key | CSAPJUDXEBTDJR-QGZVFWFLSA-N |
Inchi ID | InChI=1S/C18H31N2O4P/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)20-18(21)17(19)13-14-25(22,23)24/h9-12,17H,2-8,13-14,19H2,1H3,(H,20,21)(H2,22,23,24)/t17-/m1/s1 |
PubChem CID | 44422573 |
ChEMBL | CHEMBL227851 |
IUPHAR | N/A |
BindingDB | 50198834 |
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 |
---|---|---|---|---|---|
49312 | Sphingosine 1-phosphate receptor 1 | P21453 | S1PR1 | Homo sapiens (Human) | 382 |
443648 | Sphingosine 1-phosphate receptor 2 | O95136 | S1PR2 | Homo sapiens (Human) | 353 |
49309 | Sphingosine 1-phosphate receptor 3 | Q99500 | S1PR3 | Homo sapiens (Human) | 378 |
49311 | Sphingosine 1-phosphate receptor 4 | O95977 | S1PR4 | Homo sapiens (Human) | 384 |
49310 | Sphingosine 1-phosphate receptor 5 | Q9H228 | S1PR5 | Homo sapiens (Human) | 398 |
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