| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 23 | Yes |
Popular Name: 1-(1-benzylpiperidin-1-ium-4-yl)-2-(4-fluorophenyl)ethanone 1-(1-benzylpiperidin-1-ium-4-yl)…
| 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) | 3.65 | 3.03 | -46.48 | 1 | 2 | 1 | 21 | 312.408 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT2A-1-E | Serotonin 2a (5-HT2a) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 290 | 0.40 | Binding ≤ 10μM |
| 5HT2B-2-E | Serotonin 2b (5-HT2b) Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 290 | 0.40 | Binding ≤ 10μM |
| 5HT2C-2-E | Serotonin 2c (5-HT2c) Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 290 | 0.40 | Binding ≤ 10μM |
| SGMR1-1-E | Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 3 | 0.52 | Binding ≤ 10μM |
| DRD2-17-E | Dopamine D2 Receptor (cluster #17 Of 24), Eukaryotic | Eukaryotes | 4561 | 0.33 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT2A_MOUSE | P35363 | Serotonin 2a (5-HT2a) Receptor, Mouse | 290 | 0.40 | Binding ≤ 1μM |
| 5HT2B_MOUSE | Q02152 | Serotonin 2b (5-HT2b) Receptor, Mouse | 290 | 0.40 | Binding ≤ 1μM |
| 5HT2C_MOUSE | P34968 | Serotonin 2c (5-HT2c) Receptor, Mouse | 290 | 0.40 | Binding ≤ 1μM |
| SGMR1_MOUSE | O55242 | Sigma Opioid Receptor, Mouse | 3 | 0.52 | Binding ≤ 1μM |
| DRD2_MOUSE | P61168 | Dopamine D2 Receptor, Mouse | 4561 | 0.33 | Binding ≤ 10μM |
| 5HT2A_MOUSE | P35363 | Serotonin 2a (5-HT2a) Receptor, Mouse | 290 | 0.40 | Binding ≤ 10μM |
| 5HT2B_MOUSE | Q02152 | Serotonin 2b (5-HT2b) Receptor, Mouse | 290 | 0.40 | Binding ≤ 10μM |
| 5HT2C_MOUSE | P34968 | Serotonin 2c (5-HT2c) Receptor, Mouse | 290 | 0.40 | Binding ≤ 10μM |
| SGMR1_MOUSE | O55242 | Sigma Opioid Receptor, Mouse | 3 | 0.52 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Serotonin receptors |
