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Name | CHEMBL118508 |
---|---|
Molecular formula | C19H34NO5P |
IUPAC name | 3-[(3-methoxy-4-octoxyphenyl)methylamino]propylphosphonic acid |
Molecular weight | 387.457 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 0.8 |
Synonyms | BDBM50148429 SCHEMBL14195705 [3-(3-Methoxy-4-octyloxy-benzylamino)-propyl]-phosphonic acid |
Inchi Key | AXAGGQQXMQHIFF-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C19H34NO5P/c1-3-4-5-6-7-8-13-25-18-11-10-17(15-19(18)24-2)16-20-12-9-14-26(21,22)23/h10-11,15,20H,3-9,12-14,16H2,1-2H3,(H2,21,22,23) |
PubChem CID | 10287343 |
ChEMBL | CHEMBL118508 |
IUPHAR | N/A |
BindingDB | 50148429 |
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 |
---|---|---|---|---|---|
16494 | Lysophosphatidic acid receptor 2 | Q9HBW0 | LPAR2 | Homo sapiens (Human) | 351 |
16491 | Sphingosine 1-phosphate receptor 1 | P21453 | S1PR1 | Homo sapiens (Human) | 382 |
16493 | Sphingosine 1-phosphate receptor 2 | O95136 | S1PR2 | Homo sapiens (Human) | 353 |
16492 | Sphingosine 1-phosphate receptor 3 | Q99500 | S1PR3 | Homo sapiens (Human) | 378 |
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