| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2010 | 29 | Yes |
Popular Name: N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]adamantane-1-carboxamide N-[2-[4-(2-methoxyphenyl)piperaz…
| 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) | 4.31 | 8.34 | -10.11 | 1 | 5 | 0 | 45 | 397.563 | 6 | ↓ |
| 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 | 274 | 0.32 | Binding ≤ 10μM |
| 5HT2B-2-E | Serotonin 2b (5-HT2b) Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 274 | 0.32 | Binding ≤ 10μM |
| 5HT2C-2-E | Serotonin 2c (5-HT2c) Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 274 | 0.32 | Binding ≤ 10μM |
| 5HT1A-2-E | Serotonin 1a (5-HT1a) Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1 | 0.43 | Functional ≤ 10μM |
| Z104304-1-O | Adrenergic Receptor Alpha-1 (cluster #1 Of 3), Other | Other | 18 | 0.37 | Binding ≤ 10μM |
| DRD2-16-E | Dopamine D2 Receptor (cluster #16 Of 24), Eukaryotic | Eukaryotes | 24 | 0.37 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 17.5 | 0.37 | Binding ≤ 1μM |
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 24 | 0.37 | Binding ≤ 1μM |
| 5HT2A_RAT | P14842 | Serotonin 2a (5-HT2a) Receptor, Rat | 274 | 0.32 | Binding ≤ 1μM |
| 5HT2B_RAT | P30994 | Serotonin 2b (5-HT2b) Receptor, Rat | 274 | 0.32 | Binding ≤ 1μM |
| 5HT2C_RAT | P08909 | Serotonin 2c (5-HT2c) Receptor, Rat | 274 | 0.32 | Binding ≤ 1μM |
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 17.5 | 0.37 | Binding ≤ 10μM |
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 24 | 0.37 | Binding ≤ 10μM |
| 5HT2A_RAT | P14842 | Serotonin 2a (5-HT2a) Receptor, Rat | 274 | 0.32 | Binding ≤ 10μM |
| 5HT2B_RAT | P30994 | Serotonin 2b (5-HT2b) Receptor, Rat | 274 | 0.32 | Binding ≤ 10μM |
| 5HT2C_RAT | P08909 | Serotonin 2c (5-HT2c) Receptor, Rat | 274 | 0.32 | Binding ≤ 10μM |
| 5HT1A_RAT | P19327 | Serotonin 1a (5-HT1a) Receptor, Rat | 1 | 0.43 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Serotonin receptors |
No pre-computed analogs available. Try a structural similarity search.