| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 14th, 2006 | 28 | Yes |
Popular Name: N-(2,4-dimethylphenyl)-5-morpholino-4-phenyl-thiophene-2-carboxamide N-(2,4-dimethylphenyl)-5-morphol…
| 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) | 5.35 | -2.19 | -9.9 | 1 | 4 | 0 | 41 | 392.524 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT3A-1-E | Serotonin 3a (5-HT3a) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1000 | 0.30 | Functional ≤ 10μM |
| ACHA-1-E | Acetylcholine Receptor Protein Alpha Chain (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1000 | 0.30 | Functional ≤ 10μM |
| ACHA3-2-E | Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #2 Of 3), Eukaryotic | Eukaryotes | 2512 | 0.28 | Functional ≤ 10μM |
| ACHA4-1-E | Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1000 | 0.30 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACHA_HUMAN | P02708 | Acetylcholine Receptor Protein Alpha Chain, Human | 1000 | 0.30 | Functional ≤ 10μM |
| ACHA3_HUMAN | P32297 | Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit, Human | 2511.88643 | 0.28 | Functional ≤ 10μM |
| ACHA4_HUMAN | P43681 | Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit, Human | 1000 | 0.30 | Functional ≤ 10μM |
| 5HT3A_HUMAN | P46098 | Serotonin 3a (5-HT3a) Receptor, Human | 1000 | 0.30 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Highly calcium permeable nicotinic acetylcholine receptors | |
| Highly calcium permeable postsynaptic nicotinic acetylcholine receptors | |
| Highly sodium permeable acetylcholine nicotinic receptors | |
| Ligand-gated ion channel transport |
