probe 1.1 [PMID: 24187130]
| SMILES | Cc1ccc(cc1C(F)(F)F)CSc1nnc(n1Cc1ccco1)c1ccccn1 |
| InChIKey | OQJGZGAYSCWFCK-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 430.1 |
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 |
| κ | OPRK | Human | Opioid | A | pKi | 9.6 | 9.6 | 9.6 | Guide to Pharmacology |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| κ | OPRK | Human | Opioid | A | pEC50 | 6.445 | 6.45 | 6.45 | Guide to Pharmacology |
| κ | OPRK | Human | Opioid | A | pEC50 | 5.38 | 6.29 | 7.51 | ChEMBL |