| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 11th, 2009 | 15 | Yes |
Popular Name: 1-[(2R)-2-(3-dimethylaminoprop-1-ynyl)-1-piperidyl]ethanone 1-[(2R)-2-(3-dimethylaminoprop-1…
| 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) | 1.23 | 7 | -33.89 | 1 | 3 | 1 | 25 | 209.313 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.23 | 4.44 | -9.97 | 0 | 3 | 0 | 24 | 208.305 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACM1-2-E | Muscarinic Acetylcholine Receptor M1 (cluster #2 Of 5), Eukaryotic | Eukaryotes | 8300 | 0.47 | Binding ≤ 10μM |
| ACM2-3-E | Muscarinic Acetylcholine Receptor M2 (cluster #3 Of 6), Eukaryotic | Eukaryotes | 2260 | 0.53 | Binding ≤ 10μM |
| ACM3-2-E | Muscarinic Acetylcholine Receptor M3 (cluster #2 Of 5), Eukaryotic | Eukaryotes | 8300 | 0.47 | Binding ≤ 10μM |
| ACM4-1-E | Muscarinic Acetylcholine Receptor M4 (cluster #1 Of 6), Eukaryotic | Eukaryotes | 8300 | 0.47 | Binding ≤ 10μM |
| ACM5-1-E | Muscarinic Acetylcholine Receptor M5 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 8300 | 0.47 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACM1_HUMAN | P11229 | Muscarinic Acetylcholine Receptor M1, Human | 8300 | 0.47 | Binding ≤ 10μM |
| ACM1_RAT | P08482 | Muscarinic Acetylcholine Receptor M1, Rat | 2260 | 0.53 | Binding ≤ 10μM |
| ACM2_RAT | P10980 | Muscarinic Acetylcholine Receptor M2, Rat | 2260 | 0.53 | Binding ≤ 10μM |
| ACM2_HUMAN | P08172 | Muscarinic Acetylcholine Receptor M2, Human | 8300 | 0.47 | Binding ≤ 10μM |
| ACM3_HUMAN | P20309 | Muscarinic Acetylcholine Receptor M3, Human | 8300 | 0.47 | Binding ≤ 10μM |
| ACM3_RAT | P08483 | Muscarinic Acetylcholine Receptor M3, Rat | 2260 | 0.53 | Binding ≤ 10μM |
| ACM4_HUMAN | P08173 | Muscarinic Acetylcholine Receptor M4, Human | 8300 | 0.47 | Binding ≤ 10μM |
| ACM5_HUMAN | P08912 | Muscarinic Acetylcholine Receptor M5, Human | 8300 | 0.47 | Binding ≤ 10μM |
| ACM5_RAT | P08911 | Muscarinic Acetylcholine Receptor M5, Rat | 2260 | 0.53 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Acetylcholine regulates insulin secretion | |
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Muscarinic acetylcholine receptors |
