| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 9th, 2004 | 23 | Yes |
Popular Name: 4-amino-5-chloro-N-(3-piperidin-1-ium-1-ylpropyl)coumaran-7-carboxamide 4-amino-5-chloro-N-(3-piperidin-…
None
| 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) | 2.93 | -2.78 | -44.37 | 4 | 5 | 1 | 68 | 338.859 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0766680A1; WO1996033186A1 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT4R-1-E | Serotonin 4 (5-HT4) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 10 | 0.49 | Binding ≤ 10μM |
| 5HT4R-1-E | Serotonin 4 (5-HT4) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 19 | 0.47 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT4R_RAT | Q62758 | Serotonin 4 (5-HT4) Receptor, Rat | 9.6 | 0.49 | Binding ≤ 1μM |
| 5HT4R_RAT | Q62758 | Serotonin 4 (5-HT4) Receptor, Rat | 9.6 | 0.49 | Binding ≤ 10μM |
| 5HT4R_RAT | Q62758 | Serotonin 4 (5-HT4) Receptor, Rat | 19.3 | 0.47 | Functional ≤ 10μM |
