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Name | CHEMBL119413 |
---|---|
Molecular formula | C18H31ClNO4P |
IUPAC name | 3-[(3-chloro-4-octoxyphenyl)methylamino]propylphosphonic acid |
Molecular weight | 391.873 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 3 |
XlogP | 1.6 |
Synonyms | BDBM50148421 SCHEMBL14195654 [3-(3-Chloro-4-octyloxy-benzylamino)-propyl]-phosphonic acid |
Inchi Key | PCBMXZQDEQINJG-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C18H31ClNO4P/c1-2-3-4-5-6-7-12-24-18-10-9-16(14-17(18)19)15-20-11-8-13-25(21,22)23/h9-10,14,20H,2-8,11-13,15H2,1H3,(H2,21,22,23) |
PubChem CID | 10126584 |
ChEMBL | CHEMBL119413 |
IUPHAR | N/A |
BindingDB | 50148421 |
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 |
---|---|---|---|---|---|
256134 | Lysophosphatidic acid receptor 2 | Q9HBW0 | LPAR2 | Homo sapiens (Human) | 351 |
256135 | Sphingosine 1-phosphate receptor 1 | P21453 | S1PR1 | Homo sapiens (Human) | 382 |
256136 | Sphingosine 1-phosphate receptor 2 | O95136 | S1PR2 | Homo sapiens (Human) | 353 |
256137 | Sphingosine 1-phosphate receptor 3 | Q99500 | S1PR3 | Homo sapiens (Human) | 378 |
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