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Name | CHEMBL3703203 |
---|---|
Molecular formula | C32H37FN2O6 |
IUPAC name | 2-[4-[3-(4-fluorophenoxy)-5-[[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]amino]phenoxy]phenyl]-2-methylpropanoic acid |
Molecular weight | 564.654 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 3 |
XlogP | 6.0 |
Synonyms | SCHEMBL14839446 2-{4-[3-(4-fluorophenoxy)-5-{[(4-hydroxy-4-isobutyl-1-piperidinyl)carbonyl]amino}phenoxy]phenyl}-2-methylpropanoic acid US8975409, Example 9 BDBM149712 MBTKFRQXHPGCLC-UHFFFAOYSA-N |
Inchi Key | MBTKFRQXHPGCLC-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C32H37FN2O6/c1-21(2)20-32(39)13-15-35(16-14-32)30(38)34-24-17-27(19-28(18-24)41-26-11-7-23(33)8-12-26)40-25-9-5-22(6-10-25)31(3,4)29(36)37/h5-12,17-19,21,39H,13-16,20H2,1-4H3,(H,34,38)(H,36,37) |
PubChem CID | 71547556 |
ChEMBL | CHEMBL3703203 |
IUPHAR | N/A |
BindingDB | 149712 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
201634 | Sphingosine 1-phosphate receptor 2 | O95136 | S1PR2 | Homo sapiens (Human) | 353 |
460994 | Sphingosine 1-phosphate receptor 2 | P47752 | S1pr2 | Rattus norvegicus (Rat) | 352 |
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