| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2009 | 25 | Yes |
Popular Name: [(1R,4S,5R)-3-methyl-3-azabicyclo[2.2.1]heptan-5-yl] [(1R,4S,5R)-3-methyl-3-azabicycl…
| 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) | 4.45 | 12.74 | -38.78 | 1 | 3 | 1 | 31 | 336.455 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.45 | 10.26 | -6.04 | 0 | 3 | 0 | 30 | 335.447 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACM1-4-E | Muscarinic Acetylcholine Receptor M1 (cluster #4 Of 5), Eukaryotic | Eukaryotes | 5 | 0.46 | Binding ≤ 10μM |
| ACM3-1-E | Muscarinic Acetylcholine Receptor M3 (cluster #1 Of 5), Eukaryotic | Eukaryotes | 8 | 0.45 | Binding ≤ 10μM |
| Z104303-2-O | Muscarinic Acetylcholine Receptor (cluster #2 Of 7), Other | Other | 6 | 0.46 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104303 | Z104303 | Muscarinic Acetylcholine Receptor | 20.1 | 0.43 | Binding ≤ 1μM |
| ACM1_RAT | P08482 | Muscarinic Acetylcholine Receptor M1, Rat | 2.2 | 0.48 | Binding ≤ 1μM |
| ACM3_RAT | P08483 | Muscarinic Acetylcholine Receptor M3, Rat | 4.03 | 0.47 | Binding ≤ 1μM |
| Z104303 | Z104303 | Muscarinic Acetylcholine Receptor | 20.1 | 0.43 | Binding ≤ 10μM |
| ACM1_RAT | P08482 | Muscarinic Acetylcholine Receptor M1, Rat | 2.2 | 0.48 | Binding ≤ 10μM |
| ACM3_RAT | P08483 | Muscarinic Acetylcholine Receptor M3, Rat | 4.03 | 0.47 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Acetylcholine regulates insulin secretion | |
| G alpha (q) signalling events | |
| Muscarinic acetylcholine receptors |
