| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 9th, 2004 | 25 | Yes |
Popular Name: Prucalopride Prucalopride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 179474-81-8 , 179474-85-2 , [179474-85-2]
| 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) | 2.40 | -3.12 | -46.46 | 4 | 6 | 1 | 78 | 368.885 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.45 | -6.57 | -3.12 | 2 | 4 | 0 | 45 | 146.19 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | 5-HT Receptor | Selleck Chemicals |
| Indications | Chronic Constipation | KeyOrganics Bioactives |
| 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 | 3981 | 0.30 | Binding ≤ 10μM |
| 5HT4R-1-E | Serotonin 4 (5-HT4) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3 | 0.48 | Binding ≤ 10μM |
| 5HT4R-1-E | Serotonin 4 (5-HT4) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8 | 0.45 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT4R_HUMAN | Q13639 | Serotonin 4 (5-HT4) Receptor, Human | 110 | 0.39 | Binding ≤ 1μM |
| 5HT3A_HUMAN | P46098 | Serotonin 3a (5-HT3a) Receptor, Human | 3981.07171 | 0.30 | Binding ≤ 10μM |
| 5HT4R_HUMAN | Q13639 | Serotonin 4 (5-HT4) Receptor, Human | 110 | 0.39 | Binding ≤ 10μM |
| 5HT4R_HUMAN | Q13639 | Serotonin 4 (5-HT4) Receptor, Human | 7.5 | 0.45 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (s) signalling events | |
| Ligand-gated ion channel transport | |
| Serotonin receptors |
