[1-bromo-(3S)-hydrox-4-(palmitoyloxy)butyl]phosphate
| SMILES | CCCCCCCCCCCCCCCC(=O)OC[C@H](CC(P(=O)(O[Na])O)Br)O |
| InChIKey | XCUPLWPVEJCIBO-HMEPSURWSA-M |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 20 |
| Molecular weight (Da) | 508.2 |
Drug properties
| Molecular type | Lipid |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| LPA2 | LPAR2 | Mouse | Lysophospholipid (LPA) | A | pKi | 6.61 | 6.61 | 6.61 | Guide to Pharmacology |
| LPA1 | LPAR1 | Human | Lysophospholipid (LPA) | A | pKi | 6.09 | 6.09 | 6.09 | Guide to Pharmacology |
| LPA1 | LPAR1 | Human | Lysophospholipid (LPA) | A | pKi | 6.77 | 6.77 | 6.77 | ChEMBL |
| LPA2 | LPAR2 | Human | Lysophospholipid (LPA) | A | pKi | 6.77 | 6.77 | 6.77 | ChEMBL |
| LPA3 | LPAR3 | Human | Lysophospholipid (LPA) | A | pKi | 6.77 | 6.77 | 6.77 | ChEMBL |
| LPA4 | LPAR4 | Human | Lysophospholipid (LPA) | A | pKi | 6.77 | 6.77 | 6.77 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| LPA4 | LPAR4 | Human | Lysophospholipid (LPA) | A | pIC50 | 6.58 | 6.58 | 6.58 | Guide to Pharmacology |
| LPA2 | LPAR2 | Mouse | Lysophospholipid (LPA) | A | pIC50 | 6.33 | 6.33 | 6.33 | Guide to Pharmacology |
| LPA1 | LPAR1 | Human | Lysophospholipid (LPA) | A | pIC50 | 5.34 | 5.34 | 5.34 | Guide to Pharmacology |