LTD4
| SMILES | CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SCC(C(=O)NCC(=O)O)N |
| InChIKey | YEESKJGWJFYOOK-LDDGIIIKSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 5 |
| Rotatable bonds | 20 |
| Molecular weight (Da) | 496.3 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Endogenous |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| CysLT1 | CLTR1 | Human | Leukotriene | A | pKd | 8.0 | 9.37 | 10.7 | Guide to Pharmacology |
| CysLT2 | CLTR2 | Human | Leukotriene | A | pKd | 7.3 | 8.35 | 9.4 | Guide to Pharmacology |
| CysLT2 | CLTR2 | Human | Leukotriene | A | pKi | 7.3 | 7.7 | 8.1 | Guide to Pharmacology |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| CysLT1 | CLTR1 | Human | Leukotriene | A | pEC50 | 7.34 | 8.67 | 9.22 | Guide to Pharmacology |
| CysLT1 | CLTR1 | Human | Leukotriene | A | pIC50 | 8.05 | 8.05 | 8.05 | Guide to Pharmacology |
| GPR17 | GPR17 | Human | A orphans | A | pEC50 | 8.14 | 8.25 | 8.36 | Guide to Pharmacology |
| GPR17 | GPR17 | Mouse | A orphans | A | pEC50 | 9.2 | 9.2 | 9.2 | Guide to Pharmacology |
| CysLT2 | CLTR2 | Human | Leukotriene | A | pEC50 | 6.84 | 7.53 | 8.6 | Guide to Pharmacology |
| CysLT2 | CLTR2 | Human | Leukotriene | A | pIC50 | 7.69 | 7.69 | 7.69 | Guide to Pharmacology |