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Name | BDBM65291 |
---|---|
Molecular formula | C25H33FNO5P |
IUPAC name | [(1S,3R)-1-amino-3-[(6R)-6-[2-(2-fluoro-6-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methyl dihydrogen phosphate |
Molecular weight | 477.513 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 3 |
XlogP | 1.4 |
Synonyms | US9522888, 607 |
Inchi Key | AAQPHAKRTFSDKT-ZIYZLLSTSA-N |
Inchi ID | InChI=1S/C25H33FNO5P/c1-31-24-4-2-3-23(26)22(24)10-6-17-5-7-19-14-20(9-8-18(19)13-17)21-11-12-25(27,15-21)16-32-33(28,29)30/h2-4,8-9,14,17,21H,5-7,10-13,15-16,27H2,1H3,(H2,28,29,30)/t17-,21-,25+/m1/s1 |
PubChem CID | 131953739 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 65291 |
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 |
---|---|---|---|---|---|
557318 | Sphingosine 1-phosphate receptor 1 | P21453 | S1PR1 | Homo sapiens (Human) | 382 |
557317 | Sphingosine 1-phosphate receptor 3 | Q99500 | S1PR3 | Homo sapiens (Human) | 378 |
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