| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2005 | 12 | Yes |
Popular Name: Aceclidine Aceclidine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 56715-13-0 , 6109-70-2 , 6821-59-6 , 827-61-2 , 827-61-2 [aceclidine] , [827-61-2]
(4s)-quinuclidin-3-yl acetate 2-hydroxybenzoate
1-Azabicyclo[2.2.2]oct-3-yl acetate hydrochloride
| 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) | 1.04 | 5.73 | -35.78 | 1 | 3 | 1 | 31 | 170.232 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| biological_use | Antihypertensive | ZereneX Building Blocks IBScreen Bioactives IBScreen Bioactives |
| Therapy | cholinergic | SMDC Pharmakon |
| therap | muscarinic ACh agonist, antiglaucoma | MicroSource Spectrum |
| Target | Others | Selleck Chemicals |
| mechanism | Parasympathomimetic | IBScreen Bioactives |
| biological_use | Sedative | IBScreen Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACM1-4-E | Muscarinic Acetylcholine Receptor M1 (cluster #4 Of 5), Eukaryotic | Eukaryotes | 510 | 0.73 | Binding ≤ 10μM |
| ACM2-3-E | Muscarinic Acetylcholine Receptor M2 (cluster #3 Of 6), Eukaryotic | Eukaryotes | 510 | 0.73 | Binding ≤ 10μM |
| ACM3-2-E | Muscarinic Acetylcholine Receptor M3 (cluster #2 Of 5), Eukaryotic | Eukaryotes | 510 | 0.73 | Binding ≤ 10μM |
| ACM4-2-E | Muscarinic Acetylcholine Receptor M4 (cluster #2 Of 6), Eukaryotic | Eukaryotes | 510 | 0.73 | Binding ≤ 10μM |
| ACM1-1-E | Muscarinic Acetylcholine Receptor M1 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 4466 | 0.62 | Functional ≤ 10μM |
| ACM3-1-E | Muscarinic Acetylcholine Receptor M3 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 10000 | 0.58 | Functional ≤ 10μM |
| Z104303-2-O | Muscarinic Acetylcholine Receptor (cluster #2 Of 7), Other | Other | 8260 | 0.59 | Binding ≤ 10μM |
| Z50597-11-O | Rattus Norvegicus (cluster #11 Of 12), Other | Other | 280 | 0.76 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104303 | Z104303 | Muscarinic Acetylcholine Receptor | 510 | 0.73 | Binding ≤ 1μM |
| ACM1_RAT | P08482 | Muscarinic Acetylcholine Receptor M1, Rat | 120 | 0.81 | Binding ≤ 1μM |
| ACM2_RAT | P10980 | Muscarinic Acetylcholine Receptor M2, Rat | 16 | 0.91 | Binding ≤ 1μM |
| ACM3_RAT | P08483 | Muscarinic Acetylcholine Receptor M3, Rat | 16 | 0.91 | Binding ≤ 1μM |
| ACM4_RAT | P08485 | Muscarinic Acetylcholine Receptor M4, Rat | 16 | 0.91 | Binding ≤ 1μM |
| Z104303 | Z104303 | Muscarinic Acetylcholine Receptor | 510 | 0.73 | Binding ≤ 10μM |
| ACM1_RAT | P08482 | Muscarinic Acetylcholine Receptor M1, Rat | 120 | 0.81 | Binding ≤ 10μM |
| ACM2_RAT | P10980 | Muscarinic Acetylcholine Receptor M2, Rat | 16 | 0.91 | Binding ≤ 10μM |
| ACM3_RAT | P08483 | Muscarinic Acetylcholine Receptor M3, Rat | 16 | 0.91 | Binding ≤ 10μM |
| ACM4_RAT | P08485 | Muscarinic Acetylcholine Receptor M4, Rat | 16 | 0.91 | Binding ≤ 10μM |
| ACM1_HUMAN | P11229 | Muscarinic Acetylcholine Receptor M1, Human | 4466 | 0.62 | Functional ≤ 10μM |
| ACM3_MOUSE | Q9ERZ3 | Muscarinic Acetylcholine Receptor M3, Mouse | 10000 | 0.58 | Functional ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 120 | 0.81 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Acetylcholine regulates insulin secretion | |
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Muscarinic acetylcholine receptors |
