octyl thiophosphatidic acid
| SMILES | CCCCCCCCOC[C@@H](COP(=S)(O)O)OCCCCCCCC |
| InChIKey | PLCCQSPJUXGEHV-IBGZPJMESA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 20 |
| Molecular weight (Da) | 412.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| LPA3 | LPAR3 | Human | Lysophospholipid (LPA) | A | pKi | 7.17 | 7.17 | 7.17 | ChEMBL |
| LPA1 | LPAR1 | Human | Lysophospholipid (LPA) | A | pKi | 6.86 | 6.86 | 6.86 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| LPA5 | D4ADR1 | Rat | Lysophospholipid (LPA) | A | pEC50 | 5.68 | 5.68 | 5.68 | Guide to Pharmacology |
| LPA3 | LPAR3 | Human | Lysophospholipid (LPA) | A | pIC50 | 6.74 | 6.74 | 6.74 | ChEMBL |
| LPA1 | LPAR1 | Human | Lysophospholipid (LPA) | A | pIC50 | 6.48 | 6.48 | 6.48 | ChEMBL |