resolvin E1
SMILES | CC[C@H](/C=C/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O)O |
InChIKey | AOPOCGPBAIARAV-OTBJXLELSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 4 |
Rotatable bonds | 13 |
Molecular weight (Da) | 350.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Endogenous |
Approved drug | Yes |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
OX1 | OX1R | Human | Orexin | A | pKi | 8.7 | 9.0 | 9.3 | Guide to Pharmacology |
OX2 | OX2R | Human | Orexin | A | pKi | 6.89 | 6.89 | 6.89 | Guide to Pharmacology |
OX1 | OX1R | Human | Orexin | A | pKd | 8.29 | 8.29 | 8.29 | ChEMBL |
OX1 | OX1R | Human | Orexin | A | pKi | 8.41 | 8.78 | 8.96 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pKi | 6.89 | 6.89 | 6.89 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |