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Name | CHEMBL3703204 |
---|---|
Molecular formula | C25H30F4N2O3 |
IUPAC name | 4-(2-ethylbutyl)-N-[3-[3-fluoro-5-(trifluoromethyl)phenoxy]phenyl]-4-hydroxypiperidine-1-carboxamide |
Molecular weight | 482.52 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 6.1 |
Synonyms | BDBM149713 US8975409, Comparative compound A |
Inchi Key | JYUZIAXLZMPCJX-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C25H30F4N2O3/c1-3-17(4-2)16-24(33)8-10-31(11-9-24)23(32)30-20-6-5-7-21(15-20)34-22-13-18(25(27,28)29)12-19(26)14-22/h5-7,12-15,17,33H,3-4,8-11,16H2,1-2H3,(H,30,32) |
PubChem CID | 91826297 |
ChEMBL | CHEMBL3703204 |
IUPHAR | N/A |
BindingDB | 149713 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
163381 | Sphingosine 1-phosphate receptor 2 | O95136 | S1PR2 | Homo sapiens (Human) | 353 |
460680 | Sphingosine 1-phosphate receptor 2 | P47752 | S1pr2 | Rattus norvegicus (Rat) | 352 |
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