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Name | CHEMBL118783 |
---|---|
Molecular formula | C18H31BrNO5P |
IUPAC name | 3-[(3-bromo-4-heptoxy-5-methoxyphenyl)methylamino]propylphosphonic acid |
Molecular weight | 452.326 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 1.1 |
Synonyms | [3-(3-Bromo-4-heptyloxy-5-methoxy-benzylamino)-propyl]-phosphonic acid BDBM50148423 SCHEMBL14195701 |
Inchi Key | DQXSYKMXKITFAL-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C18H31BrNO5P/c1-3-4-5-6-7-10-25-18-16(19)12-15(13-17(18)24-2)14-20-9-8-11-26(21,22)23/h12-13,20H,3-11,14H2,1-2H3,(H2,21,22,23) |
PubChem CID | 10288370 |
ChEMBL | CHEMBL118783 |
IUPHAR | N/A |
BindingDB | 50148423 |
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 |
---|---|---|---|---|---|
66740 | Lysophosphatidic acid receptor 2 | Q9HBW0 | LPAR2 | Homo sapiens (Human) | 351 |
66738 | Sphingosine 1-phosphate receptor 1 | P21453 | S1PR1 | Homo sapiens (Human) | 382 |
66737 | Sphingosine 1-phosphate receptor 2 | O95136 | S1PR2 | Homo sapiens (Human) | 353 |
66739 | Sphingosine 1-phosphate receptor 3 | Q99500 | S1PR3 | Homo sapiens (Human) | 378 |
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