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Name | CHEMBL324820 |
---|---|
Molecular formula | C20H36NO5P |
IUPAC name | 3-[(3-ethoxy-4-octoxyphenyl)methylamino]propylphosphonic acid |
Molecular weight | 401.484 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 1.3 |
Synonyms | SCHEMBL14195655 [3-(3-Ethoxy-4-octyloxy-benzylamino)-propyl]-phosphonic acid BDBM50148431 |
Inchi Key | KSAATBXYGYJAQU-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H36NO5P/c1-3-5-6-7-8-9-14-26-19-12-11-18(16-20(19)25-4-2)17-21-13-10-15-27(22,23)24/h11-12,16,21H,3-10,13-15,17H2,1-2H3,(H2,22,23,24) |
PubChem CID | 10126736 |
ChEMBL | CHEMBL324820 |
IUPHAR | N/A |
BindingDB | 50148431 |
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 |
---|---|---|---|---|---|
176842 | Lysophosphatidic acid receptor 2 | Q9HBW0 | LPAR2 | Homo sapiens (Human) | 351 |
176843 | Sphingosine 1-phosphate receptor 1 | P21453 | S1PR1 | Homo sapiens (Human) | 382 |
176844 | Sphingosine 1-phosphate receptor 2 | O95136 | S1PR2 | Homo sapiens (Human) | 353 |
176845 | Sphingosine 1-phosphate receptor 3 | Q99500 | S1PR3 | Homo sapiens (Human) | 378 |
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