| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 27 | No |
Popular Name: 8-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione 8-[2-[4-(3-chlorophenyl)piperazi…
| 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) | 3.14 | 8.93 | -9.6 | 0 | 5 | 0 | 44 | 389.927 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT1A-1-E | Serotonin 1a (5-HT1a) Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1 | 0.47 | Binding ≤ 10μM |
| ADA1B-1-E | Alpha-1b Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 221 | 0.35 | Binding ≤ 10μM |
| ADA1D-2-E | Alpha-1d Adrenergic Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 2 | 0.45 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA1B_HUMAN | P35368 | Alpha-1b Adrenergic Receptor, Human | 220.52 | 0.35 | Binding ≤ 1μM |
| ADA1D_RAT | P23944 | Alpha-1d Adrenergic Receptor, Rat | 2.02 | 0.45 | Binding ≤ 1μM |
| 5HT1A_HUMAN | P08908 | Serotonin 1a (5-HT1a) Receptor, Human | 1.09 | 0.46 | Binding ≤ 1μM |
| ADA1B_HUMAN | P35368 | Alpha-1b Adrenergic Receptor, Human | 220.52 | 0.35 | Binding ≤ 10μM |
| ADA1D_RAT | P23944 | Alpha-1d Adrenergic Receptor, Rat | 2.02 | 0.45 | Binding ≤ 10μM |
| 5HT1A_HUMAN | P08908 | Serotonin 1a (5-HT1a) Receptor, Human | 1.09 | 0.46 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Adrenoceptors | |
| G alpha (12/13) signalling events | |
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Serotonin receptors |
