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Name | CHEMBL313413 |
---|---|
Molecular formula | C36H54NO6P |
IUPAC name | [(2R)-3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]-2-[[(Z)-octadec-9-enoyl]amino]propyl] dihydrogen phosphate |
Molecular weight | 627.803 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 9.3 |
Synonyms | BDBM50146250 Phosphoric acid mono-[(R)-3-[4-(indan-2-yloxy)-phenyl]-2-((Z)-octadec-9-enoylamino)-propyl] ester |
Inchi Key | BOXVNLGAMFTXKL-KJINXXHRSA-N |
Inchi ID | InChI=1S/C36H54NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-36(38)37-33(29-42-44(39,40)41)26-30-22-24-34(25-23-30)43-35-27-31-19-17-18-20-32(31)28-35/h9-10,17-20,22-25,33,35H,2-8,11-16,21,26-29H2,1H3,(H,37,38)(H2,39,40,41)/b10-9-/t33-/m1/s1 |
PubChem CID | 44325401 |
ChEMBL | CHEMBL313413 |
IUPHAR | N/A |
BindingDB | 50146250 |
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 |
---|---|---|---|---|---|
29257 | Lysophosphatidic acid receptor 1 | Q92633 | LPAR1 | Homo sapiens (Human) | 364 |
29256 | Lysophosphatidic acid receptor 3 | Q9UBY5 | LPAR3 | Homo sapiens (Human) | 353 |
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