| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2010 | 15 | Yes |
Popular Name: (4R)-7-(6-chloro-3-pyridyl)-1,7-diazaspiro[3.4]octane (4R)-7-(6-chloro-3-pyridyl)-1,7-…
| 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) | 2.10 | 3.7 | -44.14 | 2 | 3 | 1 | 33 | 224.715 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACHA4-1-E | Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #1 Of 5), Eukaryotic | Eukaryotes | 21 | 0.72 | Binding ≤ 10μM |
| ACHA3-3-E | Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #3 Of 3), Eukaryotic | Eukaryotes | 6900 | 0.48 | Functional ≤ 10μM |
| ACHA4-2-E | Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 2500 | 0.52 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACHA4_RAT | P09483 | Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit, Rat | 21 | 0.72 | Binding ≤ 1μM |
| ACHA4_RAT | P09483 | Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit, Rat | 21 | 0.72 | Binding ≤ 10μM |
| ACHA3_HUMAN | P32297 | Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit, Human | 6900 | 0.48 | Functional ≤ 10μM |
| ACHA4_HUMAN | P43681 | Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit, Human | 2500 | 0.52 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Highly calcium permeable nicotinic acetylcholine receptors | |
| Highly calcium permeable postsynaptic nicotinic acetylcholine receptors | |
| Highly sodium permeable acetylcholine nicotinic receptors |
