12S-HETE
SMILES | CCCCC/C=C\C[C@@H](/C=C/C=C\C/C=C\CCCC(=O)O)O |
InChIKey | ZNHVWPKMFKADKW-LQWMCKPYSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 2 |
Rotatable bonds | 14 |
Molecular weight (Da) | 320.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Endogenous |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A2A | AA2AR | Human | Adenosine | A | pKi | 4.4 | 4.4 | 4.4 | Guide to Pharmacology |
A3 | AA3R | Human | Adenosine | A | pKi | 5.5 | 5.5 | 5.5 | Guide to Pharmacology |
A1 | AA1R | Rat | Adenosine | A | pKi | 5.1 | 5.1 | 5.1 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
TAS2R31 | T2R31 | Human | Taste 2 | T | pIC50 | 5.44 | 5.44 | 5.44 | ChEMBL |
TAS2R31 | T2R31 | Human | Taste 2 | T | pIC50 | 5.26 | 5.26 | 5.26 | Guide to Pharmacology |