TUG-905
| SMILES | OC(=O)CCc1ccc(cc1F)NCc1cccc(c1)c1ccc(cc1C)OCCCS(=O)(=O)C |
| InChIKey | ODIHLEYTPVYAPY-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 12 |
| Molecular weight (Da) | 499.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| FFA1 | FFAR1 | Human | Free fatty acid | A | pKi | 8.36 | 8.36 | 8.36 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| FFA1 | FFAR1 | Human | Free fatty acid | A | pEC50 | 8.05 | 8.05 | 8.05 | Guide to Pharmacology |
| FFA1 | FFAR1 | Rat | Free fatty acid | A | pEC50 | 6.74 | 6.74 | 6.74 | ChEMBL |
| FFA4 | FFAR4 | Human | Free fatty acid | A | pEC50 | 4.36 | 4.36 | 4.36 | ChEMBL |
| FFA1 | FFAR1 | Human | Free fatty acid | A | pEC50 | 5.71 | 7.23 | 8.04 | ChEMBL |