RO5166017
| SMILES | CCN(c1ccccc1)C[C@H]1COC(=N1)N |
| InChIKey | PPONHQQJLWPUPH-JTQLQIEISA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 219.1 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| TA1 | TAAR1 | Human | Trace amine | A | pKi | 7.5 | 7.5 | 7.5 | Guide to Pharmacology |
| TA1 | TAAR1 | Rat | Trace amine | A | pKi | 8.6 | 8.6 | 8.6 | Guide to Pharmacology |
| TA1 | TAAR1 | Mouse | Trace amine | A | pKi | 8.7 | 8.7 | 8.7 | Guide to Pharmacology |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| TA1 | TAAR1 | Human | Trace amine | A | pEC50 | 7.23 | 7.23 | 7.23 | ChEMBL |
| TA1 | TAAR1 | Human | Trace amine | A | pEC50 | 7.3 | 7.3 | 7.3 | Guide to Pharmacology |
| TA1 | TAAR1 | Rat | Trace amine | A | pEC50 | 7.85 | 7.85 | 7.85 | ChEMBL |
| TA1 | TAAR1 | Rat | Trace amine | A | pEC50 | 7.9 | 7.9 | 7.9 | Guide to Pharmacology |
| TA1 | TAAR1 | Mouse | Trace amine | A | pEC50 | 8.52 | 8.52 | 8.52 | ChEMBL |
| TA1 | TAAR1 | Mouse | Trace amine | A | pEC50 | 8.5 | 8.5 | 8.5 | Guide to Pharmacology |