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Name | CHEMBL182446 |
---|---|
Molecular formula | C36H57N2O8P |
IUPAC name | [(2R)-3-[4-[[4-(2-methoxyethoxy)pyridin-2-yl]methoxy]phenyl]-2-[[(Z)-octadec-9-enoyl]amino]propyl] dihydrogen phosphate |
Molecular weight | 676.832 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 3 |
XlogP | 7.5 |
Synonyms | BDBM50150000 Phosphoric acid mono-[(R)-3-{4-[4-(2-methoxy-ethoxy)-pyridin-2-ylmethoxy]-phenyl}-2-((Z)-octadec-9-enoylamino)-propyl] ester |
Inchi Key | CSFMYMIHKKPMPF-NFYUYZAESA-N |
Inchi ID | InChI=1S/C36H57N2O8P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-36(39)38-33(30-46-47(40,41)42)27-31-19-21-34(22-20-31)45-29-32-28-35(23-24-37-32)44-26-25-43-2/h10-11,19-24,28,33H,3-9,12-18,25-27,29-30H2,1-2H3,(H,38,39)(H2,40,41,42)/b11-10-/t33-/m1/s1 |
PubChem CID | 44392795 |
ChEMBL | CHEMBL182446 |
IUPHAR | N/A |
BindingDB | 50150000 |
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 |
---|---|---|---|---|---|
49424 | Lysophosphatidic acid receptor 1 | Q92633 | LPAR1 | Homo sapiens (Human) | 364 |
49425 | Lysophosphatidic acid receptor 3 | Q9UBY5 | LPAR3 | Homo sapiens (Human) | 353 |
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