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Name | CHEMBL181917 |
---|---|
Molecular formula | C36H57N2O7P |
IUPAC name | [(2S)-3-[4-[(4-methoxy-3,5-dimethylpyridin-2-yl)methoxy]phenyl]-2-[[(Z)-octadec-9-enoyl]amino]propyl] dihydrogen phosphate |
Molecular weight | 660.833 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 3 |
XlogP | 8.4 |
Synonyms | BDBM50150009 Phosphoric acid mono-[(S)-3-[4-(4-methoxy-3,5-dimethyl-pyridin-2-ylmethoxy)-phenyl]-2-((Z)-octadec-9-enoylamino)-propyl] ester |
Inchi Key | IXNPTKKSRPZDOX-YHNXONRQSA-N |
Inchi ID | InChI=1S/C36H57N2O7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-35(39)38-32(27-45-46(40,41)42)25-31-21-23-33(24-22-31)44-28-34-30(3)36(43-4)29(2)26-37-34/h12-13,21-24,26,32H,5-11,14-20,25,27-28H2,1-4H3,(H,38,39)(H2,40,41,42)/b13-12-/t32-/m0/s1 |
PubChem CID | 44392797 |
ChEMBL | CHEMBL181917 |
IUPHAR | N/A |
BindingDB | 50150009 |
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 |
---|---|---|---|---|---|
144145 | Lysophosphatidic acid receptor 1 | Q92633 | LPAR1 | Homo sapiens (Human) | 364 |
144146 | Lysophosphatidic acid receptor 3 | Q9UBY5 | LPAR3 | Homo sapiens (Human) | 353 |
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