| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 20th, 2009 | 19 | Yes |
Popular Name: N-[(4R,5R)-1-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide N-[(4R,5R)-1-azabicyclo[2.2.1]he…
| 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) | 1.00 | 5.5 | -49.06 | 2 | 5 | 1 | 51 | 257.317 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.00 | 2.7 | -13.26 | 1 | 5 | 0 | 50 | 256.309 | 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 | 52 | 0.54 | Binding ≤ 10μM |
| 5HT3B-1-E | Serotonin 3b (5-HT3b) Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 52 | 0.54 | Binding ≤ 10μM |
| 5HT3A-1-E | Serotonin 3a (5-HT3a) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 124 | 0.51 | Functional ≤ 10μM |
| 5HT3B-1-E | Serotonin 3b (5-HT3b) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 124 | 0.51 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT3A_RAT | P35563 | Serotonin 3a (5-HT3a) Receptor, Rat | 52 | 0.54 | Binding ≤ 1μM |
| 5HT3B_RAT | Q9JJ16 | Serotonin 3b (5-HT3b) Receptor, Rat | 52 | 0.54 | Binding ≤ 1μM |
| 5HT3A_RAT | P35563 | Serotonin 3a (5-HT3a) Receptor, Rat | 52 | 0.54 | Binding ≤ 10μM |
| 5HT3B_RAT | Q9JJ16 | Serotonin 3b (5-HT3b) Receptor, Rat | 52 | 0.54 | Binding ≤ 10μM |
| 5HT3A_RAT | P35563 | Serotonin 3a (5-HT3a) Receptor, Rat | 124 | 0.51 | Functional ≤ 10μM |
| 5HT3B_RAT | Q9JJ16 | Serotonin 3b (5-HT3b) Receptor, Rat | 124 | 0.51 | Functional ≤ 10μM |
