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Name | CHEMBL3618201 |
---|---|
Molecular formula | C31H26F2N2O6 |
IUPAC name | 4-[3-(4-fluorophenoxy)-5-[[4-(4-fluorophenyl)-4-hydroxypiperidine-1-carbonyl]amino]phenoxy]benzoic acid |
Molecular weight | 560.554 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 3 |
XlogP | 5.0 |
Synonyms | BDBM149705 SCHEMBL14839451 US8975409, Example 9(3) |
Inchi Key | PZFBUIYFAFMDBM-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C31H26F2N2O6/c32-22-5-3-21(4-6-22)31(39)13-15-35(16-14-31)30(38)34-24-17-27(40-25-9-1-20(2-10-25)29(36)37)19-28(18-24)41-26-11-7-23(33)8-12-26/h1-12,17-19,39H,13-16H2,(H,34,38)(H,36,37) |
PubChem CID | 71547555 |
ChEMBL | CHEMBL3618201 |
IUPHAR | N/A |
BindingDB | 149705 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
496631 | Sphingosine 1-phosphate receptor 1 | P21453 | S1PR1 | Homo sapiens (Human) | 382 |
272620 | Sphingosine 1-phosphate receptor 2 | O95136 | S1PR2 | Homo sapiens (Human) | 353 |
461573 | Sphingosine 1-phosphate receptor 2 | P47752 | S1pr2 | Rattus norvegicus (Rat) | 352 |
496633 | Sphingosine 1-phosphate receptor 3 | Q99500 | S1PR3 | Homo sapiens (Human) | 378 |
496632 | Sphingosine 1-phosphate receptor 4 | O95977 | S1PR4 | Homo sapiens (Human) | 384 |
496630 | Sphingosine 1-phosphate receptor 5 | Q9H228 | S1PR5 | Homo sapiens (Human) | 398 |
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