U69593
| SMILES | O=C(N([C@H]1CC[C@]2(C[C@@H]1N1CCCC1)CCCO2)C)Cc1ccccc1 |
| InChIKey | PGZRDDYTKFZSFR-ONTIZHBOSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 356.2 |
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 |
| κ | OPRK | Human | Opioid | A | pKd | 8.7 | 8.75 | 8.8 | Guide to Pharmacology |
| κ | OPRK | Human | Opioid | A | pKi | 9.5 | 9.5 | 9.5 | Guide to Pharmacology |
| κ | OPRK | Rat | Opioid | A | pKi | 8.0 | 8.35 | 8.7 | Guide to Pharmacology |
| NOP | OPRX | Guinea pig | Opioid | A | pKi | 5.96 | 5.96 | 5.96 | ChEMBL |
| κ | OPRK | Rat | Opioid | A | pKi | 8.24 | 8.55 | 8.85 | ChEMBL |
| κ | OPRK | Rat | Opioid | A | pKd | 9.0 | 9.0 | 9.0 | ChEMBL |
| μ | OPRM | Mouse | Opioid | A | pKi | 6.26 | 7.59 | 8.93 | ChEMBL |
| δ | OPRD | Mouse | Opioid | A | pKi | 6.41 | 6.41 | 6.41 | ChEMBL |
| κ | OPRK | Guinea pig | Opioid | A | pKi | 8.14 | 8.86 | 9.15 | ChEMBL |
| κ | OPRK | Guinea pig | Opioid | A | pKd | 5.31 | 6.33 | 8.37 | ChEMBL |
| μ | OPRM | Rat | Opioid | A | pKi | 5.14 | 5.14 | 5.14 | ChEMBL |
| δ | OPRD | Human | Opioid | A | pKd | 5.7 | 5.7 | 5.7 | ChEMBL |
| δ | OPRD | Human | Opioid | A | pKi | 4.9 | 5.22 | 5.87 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pKi | 8.46 | 8.91 | 9.52 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pKi | 5.62 | 5.78 | 5.94 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pKi | 5.94 | 5.97 | 6.0 | PDSP Ki database |
| δ | OPRD | Human | Opioid | A | pKi | 5.0 | 5.5 | 6.0 | PDSP Ki database |
| κ | OPRK | Human | Opioid | A | pKi | 7.63 | 8.55 | 9.52 | PDSP Ki database |
| κ | OPRK | Guinea pig | Opioid | A | pKi | 9.15 | 9.15 | 9.15 | PDSP Ki database |
| δ | A0A286XTF2 | Guinea pig | Opioid | A | pKi | 5.87 | 5.87 | 5.87 | PDSP Ki database |
| δ | OPRD | Rat | Opioid | A | pKi | 5.43 | 5.43 | 5.43 | PDSP Ki database |
| μ | OPRM | Rat | Opioid | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| κ | OPRK | Rat | Opioid | A | pKi | 6.23 | 6.84 | 8.18 | PDSP Ki database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| κ | OPRK | Mouse | Opioid | A | pIC50 | 8.6 | 8.6 | 8.6 | Guide to Pharmacology |
| κ | OPRK | Rat | Opioid | A | pIC50 | 9.2 | 9.2 | 9.2 | ChEMBL |
| κ | OPRK | Rat | Opioid | A | pEC50 | 8.11 | 8.11 | 8.11 | ChEMBL |
| κ | OPRK | Guinea pig | Opioid | A | pIC50 | 8.68 | 8.68 | 8.68 | ChEMBL |
| κ | OPRK | Guinea pig | Opioid | A | pEC50 | 5.84 | 5.84 | 5.84 | ChEMBL |
| δ | OPRD | Human | Opioid | A | pIC50 | 5.23 | 5.27 | 5.3 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pIC50 | 8.1 | 8.5 | 8.7 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pEC50 | 6.27 | 7.62 | 9.1 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pIC50 | 6.6 | 6.61 | 6.61 | ChEMBL |