| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 15th, 2009 | 30 | Yes |
Popular Name: [(3R,4R)-1-[4-(4-fluorophenyl)-4-oxo-butyl]-3-methyl-4-phenyl-4-piperidyl] [(3R,4R)-1-[4-(4-fluorophenyl)-4…
| 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) | 5.16 | 14.87 | -52.53 | 1 | 4 | 1 | 48 | 412.525 | 9 | ↓ |
| Hi High (pH 8-9.5) | 5.16 | 12.92 | -12 | 0 | 4 | 0 | 47 | 411.517 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRD-1-E | Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 9 | 0.38 | Binding ≤ 10μM |
| OPRK-1-E | Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 9 | 0.38 | Binding ≤ 10μM |
| OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 9 | 0.38 | Binding ≤ 10μM |
| OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1789 | 0.27 | Binding ≤ 10μM |
| DRD1-1-E | Dopamine D1 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3200 | 0.26 | Functional ≤ 10μM |
| DRD2-18-E | Dopamine D2 Receptor (cluster #18 Of 24), Eukaryotic | Eukaryotes | 47 | 0.34 | Binding ≤ 10μM |
| DRD2-18-E | Dopamine D2 Receptor (cluster #18 Of 24), Eukaryotic | Eukaryotes | 147 | 0.32 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRD_RAT | P33533 | Delta Opioid Receptor, Rat | 8.67 | 0.38 | Binding ≤ 1μM |
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 146.7 | 0.32 | Binding ≤ 1μM |
| OPRK_RAT | P34975 | Kappa Opioid Receptor, Rat | 8.67 | 0.38 | Binding ≤ 1μM |
| OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 8.67 | 0.38 | Binding ≤ 1μM |
| OPRD_RAT | P33533 | Delta Opioid Receptor, Rat | 8.67 | 0.38 | Binding ≤ 10μM |
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 146.7 | 0.32 | Binding ≤ 10μM |
| OPRK_RAT | P34975 | Kappa Opioid Receptor, Rat | 8.67 | 0.38 | Binding ≤ 10μM |
| OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 1789 | 0.27 | Binding ≤ 10μM |
| DRD1_RAT | P18901 | Dopamine D1 Receptor, Rat | 3200 | 0.26 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (i) signalling events | |
| G-protein activation | |
| Opioid Signalling | |
| Peptide ligand-binding receptors |
