| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 10th, 2011 | 32 | Yes |
Popular Name: (3S)-1-[1-isobutyl-3-(1-naphthylsulfonyl)indazol-5-yl]pyrrolidin-3-amine (3S)-1-[1-isobutyl-3-(1-naphthyl…
| 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) | 4.18 | 8.68 | -64.96 | 3 | 6 | 1 | 83 | 449.6 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.18 | 8.39 | -16.4 | 2 | 6 | 0 | 81 | 448.592 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT6R-2-E | Serotonin 6 (5-HT6) Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 37 | 0.33 | Binding ≤ 10μM |
| 5HT6R-1-E | 5-hydroxytryptamine Receptor 6 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 203 | 0.29 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT6R_HUMAN | P50406 | Serotonin 6 (5-HT6) Receptor, Human | 36.9 | 0.33 | Binding ≤ 1μM |
| 5HT6R_HUMAN | P50406 | Serotonin 6 (5-HT6) Receptor, Human | 36.9 | 0.33 | Binding ≤ 10μM |
| 5HT6R_HUMAN | P50406 | Serotonin 6 (5-HT6) Receptor, Human | 203 | 0.29 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (s) signalling events | |
| Serotonin receptors |
