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Name | CHEMBL117715 |
---|---|
Molecular formula | C19H33ClNO5P |
IUPAC name | 3-[(3-chloro-5-methoxy-4-octoxyphenyl)methylamino]propylphosphonic acid |
Molecular weight | 421.899 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 1.5 |
Synonyms | BDBM50148420 SCHEMBL14195697 [3-(3-Chloro-5-methoxy-4-octyloxy-benzylamino)-propyl]-phosphonic acid |
Inchi Key | GBAYNJCGVHFQTM-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C19H33ClNO5P/c1-3-4-5-6-7-8-11-26-19-17(20)13-16(14-18(19)25-2)15-21-10-9-12-27(22,23)24/h13-14,21H,3-12,15H2,1-2H3,(H2,22,23,24) |
PubChem CID | 10173327 |
ChEMBL | CHEMBL117715 |
IUPHAR | N/A |
BindingDB | 50148420 |
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 |
---|---|---|---|---|---|
92112 | Lysophosphatidic acid receptor 2 | Q9HBW0 | LPAR2 | Homo sapiens (Human) | 351 |
92113 | Sphingosine 1-phosphate receptor 1 | P21453 | S1PR1 | Homo sapiens (Human) | 382 |
92111 | Sphingosine 1-phosphate receptor 2 | O95136 | S1PR2 | Homo sapiens (Human) | 353 |
92110 | Sphingosine 1-phosphate receptor 3 | Q99500 | S1PR3 | Homo sapiens (Human) | 378 |
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