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Name | CHEMBL482498 |
---|---|
Molecular formula | C26H20N2O8 |
IUPAC name | (E)-4-[4-[3-[4-[[(E)-3-carboxyprop-2-enoyl]amino]phenoxy]phenoxy]anilino]-4-oxobut-2-enoic acid |
Molecular weight | 488.452 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 4 |
XlogP | 2.9 |
Synonyms | 4,4''-(4,4''-(1,3-phenylenebis(oxy))bis(4,1-phenylene))bis(azanediyl)bis(4-oxobut-2-enoic acid) MolPort-001-015-587 AKOS003244689 (E)-4-[4-[3-[4-[[(E)-4-hydroxy-4-oxobut-2-enoyl]amino]phenoxy]phenoxy]anilino]-4-oxobut-2-enoic acid STK155992 [ Show all ] |
Inchi Key | HZFPOTBCYPWQSH-QUMQEAAQSA-N |
Inchi ID | InChI=1S/C26H20N2O8/c29-23(12-14-25(31)32)27-17-4-8-19(9-5-17)35-21-2-1-3-22(16-21)36-20-10-6-18(7-11-20)28-24(30)13-15-26(33)34/h1-16H,(H,27,29)(H,28,30)(H,31,32)(H,33,34)/b14-12+,15-13+ |
PubChem CID | 2260227 |
ChEMBL | CHEMBL482498 |
IUPHAR | N/A |
BindingDB | 50271765 |
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 |
---|---|---|---|---|---|
127641 | Lysophosphatidic acid receptor 1 | Q92633 | LPAR1 | Homo sapiens (Human) | 364 |
127640 | Lysophosphatidic acid receptor 2 | Q9HBW0 | LPAR2 | Homo sapiens (Human) | 351 |
127642 | Lysophosphatidic acid receptor 3 | Q9UBY5 | LPAR3 | Homo sapiens (Human) | 353 |
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