| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 5th, 2010 | 20 | Yes |
Popular Name: N-[(3R)-quinuclidin-3-yl]-1H-pyrrolo[2,3-c]pyridine-5-carboxamide N-[(3R)-quinuclidin-3-yl]-1H-pyr…
| 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) | 1.37 | 4.83 | -39.35 | 3 | 5 | 1 | 62 | 271.344 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.37 | 5.3 | -88.59 | 4 | 5 | 2 | 63 | 272.352 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT3A-1-E | Serotonin 3a (5-HT3a) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1173 | 0.42 | Functional ≤ 10μM |
| 5HT3B-1-E | Serotonin 3b (5-HT3b) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1173 | 0.42 | Functional ≤ 10μM |
| 5HT3C-1-E | Serotonin 3c (5-HT3c) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1173 | 0.42 | Functional ≤ 10μM |
| 5HT3D-1-E | Serotonin 3d (5-HT3d) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1173 | 0.42 | Functional ≤ 10μM |
| 5HT3E-1-E | Serotonin 3e (5-HT3e) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1173 | 0.42 | Functional ≤ 10μM |
| ACHA7-1-E | Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1173 | 0.42 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACHA7_HUMAN | P36544 | Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit, Human | 1173 | 0.42 | Functional ≤ 10μM |
| 5HT3A_HUMAN | P46098 | Serotonin 3a (5-HT3a) Receptor, Human | 1173 | 0.42 | Functional ≤ 10μM |
| 5HT3B_HUMAN | O95264 | Serotonin 3b (5-HT3b) Receptor, Human | 1173 | 0.42 | Functional ≤ 10μM |
| 5HT3C_HUMAN | Q8WXA8 | Serotonin 3c (5-HT3c) Receptor, Human | 1173 | 0.42 | Functional ≤ 10μM |
| 5HT3D_HUMAN | Q70Z44 | Serotonin 3d (5-HT3d) Receptor, Human | 1173 | 0.42 | Functional ≤ 10μM |
| 5HT3E_HUMAN | A5X5Y0 | Serotonin 3e (5-HT3e) Receptor, Human | 1173 | 0.42 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Highly calcium permeable postsynaptic nicotinic acetylcholine receptors | |
| Ligand-gated ion channel transport |
