LTE4
SMILES | CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)O)N |
InChIKey | OTZRAYGBFWZKMX-FRFVZSDQSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 4 |
Rotatable bonds | 18 |
Molecular weight (Da) | 439.2 |
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 | pKi | 7.05 | 7.42 | 7.8 | Guide to Pharmacology |
CysLT2 | CLTR2 | Human | Leukotriene | A | pKi | 6.5 | 6.5 | 6.5 | Guide to Pharmacology |
oxoglutarate | OXGR1 | Mouse | Oxoglutarate | A | pKd | 8.6 | 8.6 | 8.6 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CysLT1 | CLTR1 | Human | Leukotriene | A | pEC50 | 6.62 | 6.67 | 7.24 | Guide to Pharmacology |
CysLT1 | CLTR1 | Human | Leukotriene | A | pIC50 | 6.56 | 6.76 | 6.97 | Guide to Pharmacology |
CysLT2 | CLTR2 | Human | Leukotriene | A | pEC50 | 5.64 | 6.3 | 7.11 | Guide to Pharmacology |
CysLT2 | CLTR2 | Human | Leukotriene | A | pIC50 | 6.15 | 5.94 | 6.16 | Guide to Pharmacology |
GPR17 | GPR17 | Mouse | A orphans | A | pEC50 | 9.51 | 9.51 | 9.51 | Guide to Pharmacology |
CysLT2 | CLTR2 | Human | Leukotriene | A | pEC50 | 6.53 | 6.53 | 6.53 | ChEMBL |
CysLT1 | CLTR1 | Human | Leukotriene | A | pEC50 | 6.98 | 6.98 | 6.98 | ChEMBL |
P2Y12 | P2Y12 | Human | P2Y | A | pEC50 | 8.89 | 8.89 | 8.89 | ChEMBL |