| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 21st, 2009 | 25 | Yes |
Popular Name: 8-cyclooctyl-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one 8-cyclooctyl-4-phenyl-2,4,8-tria…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 4.40 | 7.49 | -33.68 | 2 | 4 | 1 | 37 | 342.507 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRK-4-E | Kappa Opioid Receptor (cluster #4 Of 6), Eukaryotic | Eukaryotes | 9 | 0.45 | Binding ≤ 10μM |
| OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 13 | 0.44 | Binding ≤ 10μM |
| OPRX-1-E | Nociceptin Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2 | 0.49 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRK_RAT | P34975 | Kappa Opioid Receptor, Rat | 9.1 | 0.45 | Binding ≤ 1μM |
| OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 13 | 0.44 | Binding ≤ 1μM |
| OPRX_RAT | P35370 | Nociceptin Receptor, Rat | 1.9 | 0.49 | Binding ≤ 1μM |
| OPRK_RAT | P34975 | Kappa Opioid Receptor, Rat | 9.1 | 0.45 | Binding ≤ 10μM |
| OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 13 | 0.44 | Binding ≤ 10μM |
| OPRX_RAT | P35370 | Nociceptin Receptor, Rat | 1.9 | 0.49 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G-protein activation | |
| Opioid Signalling | |
| Peptide ligand-binding receptors |
