| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 26th, 2008 | 12 | Yes |
Popular Name: 3-Pyridinamine, 5-[2-(methylamino)ethoxy]- (9CI) 3-Pyridinamine, 5-[2-(methylamin…
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CAS Number: 497949-09-4
| 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) | 0.34 | 0.17 | -40.61 | 4 | 4 | 1 | 65 | 168.22 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.34 | 0.45 | -87.59 | 5 | 4 | 2 | 66 | 169.228 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACH10-1-E | Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #1 Of 4), Eukaryotic | Eukaryotes | 27 | 0.88 | Binding ≤ 10μM |
| ACHA-2-E | Acetylcholine Receptor Protein Alpha Chain (cluster #2 Of 4), Eukaryotic | Eukaryotes | 27 | 0.88 | Binding ≤ 10μM |
| ACHA2-2-E | Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #2 Of 6), Eukaryotic | Eukaryotes | 27 | 0.88 | Binding ≤ 10μM |
| ACHA3-2-E | Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #2 Of 5), Eukaryotic | Eukaryotes | 27 | 0.88 | Binding ≤ 10μM |
| ACHA4-3-E | Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #3 Of 5), Eukaryotic | Eukaryotes | 27 | 0.88 | Binding ≤ 10μM |
| ACHA5-2-E | Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #2 Of 4), Eukaryotic | Eukaryotes | 27 | 0.88 | Binding ≤ 10μM |
| ACHA6-2-E | Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #2 Of 4), Eukaryotic | Eukaryotes | 27 | 0.88 | Binding ≤ 10μM |
| ACHA7-5-E | Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #5 Of 6), Eukaryotic | Eukaryotes | 27 | 0.88 | Binding ≤ 10μM |
| ACHA9-2-E | Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #2 Of 4), Eukaryotic | Eukaryotes | 27 | 0.88 | Binding ≤ 10μM |
| ACHB-4-E | Acetylcholine Receptor Protein Beta Chain (cluster #4 Of 4), Eukaryotic | Eukaryotes | 27 | 0.88 | Binding ≤ 10μM |
| ACHB2-2-E | Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #2 Of 7), Eukaryotic | Eukaryotes | 27 | 0.88 | Binding ≤ 10μM |
| ACHB3-2-E | Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #2 Of 4), Eukaryotic | Eukaryotes | 27 | 0.88 | Binding ≤ 10μM |
| ACHB4-3-E | Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #3 Of 7), Eukaryotic | Eukaryotes | 27 | 0.88 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACHA_RAT | P25108 | Acetylcholine Receptor Protein Alpha Chain, Rat | 27 | 0.88 | Binding ≤ 1μM |
| ACHB_RAT | P25109 | Acetylcholine Receptor Protein Beta Chain, Rat | 27 | 0.88 | Binding ≤ 1μM |
| ACH10_RAT | Q9JLB5 | Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit, Rat | 27 | 0.88 | Binding ≤ 1μM |
| ACHA2_RAT | P12389 | Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit, Rat | 27 | 0.88 | Binding ≤ 1μM |
| ACHA3_RAT | P04757 | Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit, Rat | 27 | 0.88 | Binding ≤ 1μM |
| ACHA4_RAT | P09483 | Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit, Rat | 27 | 0.88 | Binding ≤ 1μM |
| ACHA5_RAT | P20420 | Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit, Rat | 27 | 0.88 | Binding ≤ 1μM |
| ACHA6_RAT | P43143 | Neuronal Acetylcholine Receptor Protein Alpha-6 Subunit, Rat | 27 | 0.88 | Binding ≤ 1μM |
| ACHA7_RAT | Q05941 | Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit, Rat | 27 | 0.88 | Binding ≤ 1μM |
| ACHA9_RAT | P43144 | Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit, Rat | 27 | 0.88 | Binding ≤ 1μM |
| ACHB2_RAT | P12390 | Neuronal Acetylcholine Receptor Protein Beta-2 Subunit, Rat | 27 | 0.88 | Binding ≤ 1μM |
| ACHB3_RAT | P12391 | Neuronal Acetylcholine Receptor Protein Beta-3 Subunit, Rat | 27 | 0.88 | Binding ≤ 1μM |
| ACHB4_RAT | P12392 | Neuronal Acetylcholine Receptor Protein Beta-4 Subunit, Rat | 27 | 0.88 | Binding ≤ 1μM |
| ACHA_RAT | P25108 | Acetylcholine Receptor Protein Alpha Chain, Rat | 27 | 0.88 | Binding ≤ 10μM |
| ACHB_RAT | P25109 | Acetylcholine Receptor Protein Beta Chain, Rat | 27 | 0.88 | Binding ≤ 10μM |
| ACH10_RAT | Q9JLB5 | Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit, Rat | 27 | 0.88 | Binding ≤ 10μM |
| ACHA2_RAT | P12389 | Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit, Rat | 27 | 0.88 | Binding ≤ 10μM |
| ACHA3_RAT | P04757 | Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit, Rat | 27 | 0.88 | Binding ≤ 10μM |
| ACHA4_RAT | P09483 | Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit, Rat | 27 | 0.88 | Binding ≤ 10μM |
| ACHA5_RAT | P20420 | Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit, Rat | 27 | 0.88 | Binding ≤ 10μM |
| ACHA6_RAT | P43143 | Neuronal Acetylcholine Receptor Protein Alpha-6 Subunit, Rat | 27 | 0.88 | Binding ≤ 10μM |
| ACHA7_RAT | Q05941 | Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit, Rat | 27 | 0.88 | Binding ≤ 10μM |
| ACHA9_RAT | P43144 | Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit, Rat | 27 | 0.88 | Binding ≤ 10μM |
| ACHB2_RAT | P12390 | Neuronal Acetylcholine Receptor Protein Beta-2 Subunit, Rat | 27 | 0.88 | Binding ≤ 10μM |
| ACHB3_RAT | P12391 | Neuronal Acetylcholine Receptor Protein Beta-3 Subunit, Rat | 27 | 0.88 | Binding ≤ 10μM |
| ACHB4_RAT | P12392 | Neuronal Acetylcholine Receptor Protein Beta-4 Subunit, Rat | 27 | 0.88 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Highly calcium permeable nicotinic acetylcholine receptors | |
| Highly calcium permeable postsynaptic nicotinic acetylcholine receptors | |
| Highly sodium permeable acetylcholine nicotinic receptors |
No pre-computed analogs available. Try a structural similarity search.