tifluadom
| SMILES | O=C(c1ccsc1)NCC1CN=C(c2c(N1C)cccc2)c1ccccc1F |
| InChIKey | NPGABYHTDVGGJK-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 393.1 |
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 |
| κ | OPRK | Human | Opioid | A | pKi | 8.8 | 8.8 | 8.8 | Guide to Pharmacology |
| CCK1 | CCKAR | Rat | Cholecystokinin | A | pKi | 7.33 | 7.33 | 7.33 | ChEMBL |
| κ | OPRK | Guinea pig | Opioid | A | pKi | 9.11 | 9.11 | 9.11 | ChEMBL |
| δ | OPRD | Human | Opioid | A | pKi | 6.82 | 6.82 | 6.82 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pKi | 9.77 | 9.77 | 9.77 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| CCK1 | CCKAR | Rat | Cholecystokinin | A | pIC50 | 7.33 | 7.33 | 7.33 | ChEMBL |