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Name | CHEMBL199400 |
---|---|
Molecular formula | C21H40O5PS- |
IUPAC name | [(2R,4R)-2-[(E)-heptadec-9-enyl]-1,3-dioxolan-4-yl]methoxy-hydroxy-oxido-sulfanylidene-lambda5-phosphane |
Molecular weight | 435.58 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 7.7 |
Synonyms | BDBM50177335 potassium O-((2R,4R)-2-(heptadec-9-enyl)-1,3-dioxolan-4-yl)methyl O-hydrogenphosphorothioate |
Inchi Key | GPCDCYBCUTWZFV-OBDVNYBASA-M |
Inchi ID | InChI=1S/C21H41O5PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-18-20(26-21)19-25-27(22,23)28/h8-9,20-21H,2-7,10-19H2,1H3,(H2,22,23,28)/p-1/b9-8+/t20-,21-/m1/s1 |
PubChem CID | 91936391 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50177335 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
101775 | Lysophosphatidic acid receptor 1 | P61794 | Lpar1 | Rattus norvegicus (Rat) | 364 |
101777 | Lysophosphatidic acid receptor 2 | Q9HBW0 | LPAR2 | Homo sapiens (Human) | 351 |
101776 | Lysophosphatidic acid receptor 3 | Q8K5E0 | Lpar3 | Rattus norvegicus (Rat) | 354 |
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