| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 8th, 2009 | 21 | Yes |
Popular Name: 5-chloro-N-[(3R)-quinuclidin-3-yl]-2,3-dihydrobenzofuran-7-carboxamide 5-chloro-N-[(3R)-quinuclidin-3-y…
| 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) | 2.96 | 7.74 | -43.3 | 2 | 4 | 1 | 43 | 307.801 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT3A-1-E | Serotonin 3a (5-HT3a) Receptor (cluster #1 Of 5), Eukaryotic | Eukaryotes | 1 | 0.60 | Binding ≤ 10μM |
| 5HT3B-1-E | Serotonin 3b (5-HT3b) Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1 | 0.60 | Binding ≤ 10μM |
| 5HT4R-1-E | Serotonin 4 (5-HT4) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 280 | 0.44 | Binding ≤ 10μM |
| 5HT3A-1-E | Serotonin 3a (5-HT3a) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.60 | Functional ≤ 10μM |
| 5HT3B-1-E | Serotonin 3b (5-HT3b) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.60 | Functional ≤ 10μM |
| 5HT3C-1-E | Serotonin 3c (5-HT3c) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.60 | Functional ≤ 10μM |
| 5HT3D-1-E | Serotonin 3d (5-HT3d) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.60 | Functional ≤ 10μM |
| 5HT3E-1-E | Serotonin 3e (5-HT3e) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.60 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT3A_RAT | P35563 | Serotonin 3a (5-HT3a) Receptor, Rat | 1 | 0.60 | Binding ≤ 1μM |
| 5HT3B_RAT | Q9JJ16 | Serotonin 3b (5-HT3b) Receptor, Rat | 1 | 0.60 | Binding ≤ 1μM |
| 5HT4R_RAT | Q62758 | Serotonin 4 (5-HT4) Receptor, Rat | 280 | 0.44 | Binding ≤ 1μM |
| 5HT3A_RAT | P35563 | Serotonin 3a (5-HT3a) Receptor, Rat | 1 | 0.60 | Binding ≤ 10μM |
| 5HT3B_RAT | Q9JJ16 | Serotonin 3b (5-HT3b) Receptor, Rat | 1 | 0.60 | Binding ≤ 10μM |
| 5HT4R_RAT | Q62758 | Serotonin 4 (5-HT4) Receptor, Rat | 280 | 0.44 | Binding ≤ 10μM |
| 5HT3A_HUMAN | P46098 | Serotonin 3a (5-HT3a) Receptor, Human | 1 | 0.60 | Functional ≤ 10μM |
| 5HT3A_CAVPO | O70212 | Serotonin 3a (5-HT3a) Receptor, Guinea Pig | 1 | 0.60 | Functional ≤ 10μM |
| 5HT3B_HUMAN | O95264 | Serotonin 3b (5-HT3b) Receptor, Human | 1 | 0.60 | Functional ≤ 10μM |
| 5HT3C_HUMAN | Q8WXA8 | Serotonin 3c (5-HT3c) Receptor, Human | 1 | 0.60 | Functional ≤ 10μM |
| 5HT3D_HUMAN | Q70Z44 | Serotonin 3d (5-HT3d) Receptor, Human | 1 | 0.60 | Functional ≤ 10μM |
| 5HT3E_HUMAN | A5X5Y0 | Serotonin 3e (5-HT3e) Receptor, Human | 1 | 0.60 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Ligand-gated ion channel transport |
