EPPTB
| SMILES | CCOc1cccc(c1)NC(=O)c1ccc(c(c1)C(F)(F)F)N1CCCC1 |
| InChIKey | KLFVWQCQUXXLOU-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 378.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| TA1 | TAAR1 | Rat | Trace amine | A | pKi | 6.0 | 6.0 | 6.0 | Guide to Pharmacology |
| TA1 | TAAR1 | Mouse | Trace amine | A | pKi | 9.0 | 9.0 | 9.0 | Guide to Pharmacology |
| TA1 | TAAR1 | Rat | Trace amine | A | pKi | 6.03 | 6.03 | 6.03 | ChEMBL |
| TA1 | TAAR1 | Mouse | Trace amine | A | pKi | 9.05 | 9.05 | 9.05 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| TA1 | TAAR1 | Human | Trace amine | A | pIC50 | 5.1 | 5.1 | 5.1 | Guide to Pharmacology |
| TA1 | TAAR1 | Rat | Trace amine | A | pIC50 | 5.4 | 5.4 | 5.4 | Guide to Pharmacology |
| TA1 | TAAR1 | Mouse | Trace amine | A | pIC50 | 7.7 | 7.7 | 7.7 | Guide to Pharmacology |
| TA1 | TAAR1 | Rat | Trace amine | A | pIC50 | 5.34 | 5.34 | 5.34 | ChEMBL |
| TA1 | TAAR1 | Human | Trace amine | A | pIC50 | 5.13 | 5.13 | 5.13 | ChEMBL |
| TA1 | TAAR1 | Mouse | Trace amine | A | pIC50 | 7.55 | 7.55 | 7.55 | ChEMBL |