| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2004 | 24 | Yes |
| 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) | 4.59 | 13.14 | -34.1 | 1 | 3 | 1 | 31 | 326.46 | 9 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mechanism | Nicotinic and selective muscarinic M 1 -receptor antagonist | IBScreen Bioactives |
| mechanism | Parasympatholytic | IBScreen Bioactives |
| mechanism | Spasmolytic | IBScreen Bioactives |
| biological_use | Spasmolytic, anticholinergic agent | IBScreen Bioactives IBScreen Bioactives |
| mechanism | Spasmolytic | IBScreen Bioactives |
| biological_use | Used in combination therapies as a prophylactic against organophosphate poisoning | 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 | 51 | 0.43 | Binding ≤ 10μM |
| ACM2-2-E | Muscarinic Acetylcholine Receptor M2 (cluster #2 Of 6), Eukaryotic | Eukaryotes | 2 | 0.51 | Binding ≤ 10μM |
| ACM3-3-E | Muscarinic Acetylcholine Receptor M3 (cluster #3 Of 5), Eukaryotic | Eukaryotes | 8 | 0.47 | Binding ≤ 10μM |
| ACM4-1-E | Muscarinic Acetylcholine Receptor M4 (cluster #1 Of 6), Eukaryotic | Eukaryotes | 7 | 0.48 | Binding ≤ 10μM |
| ACM5-2-E | Muscarinic Acetylcholine Receptor M5 (cluster #2 Of 4), Eukaryotic | Eukaryotes | 51 | 0.43 | Binding ≤ 10μM |
| AMYP-1-E | Pancreatic Alpha-amylase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 46 | 0.43 | Binding ≤ 10μM |
| Q8WMX0-1-E | Muscarinic Acetylcholine Receptor M1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 51 | 0.43 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q8WMX0_BOVIN | Q8WMX0 | Muscarinic Acetylcholine Receptor M1, Bovin | 51 | 0.43 | Binding ≤ 1μM |
| ACM1_HUMAN | P11229 | Muscarinic Acetylcholine Receptor M1, Human | 2.1 | 0.51 | Binding ≤ 1μM |
| ACM2_HUMAN | P08172 | Muscarinic Acetylcholine Receptor M2, Human | 23 | 0.45 | Binding ≤ 1μM |
| ACM2_RAT | P10980 | Muscarinic Acetylcholine Receptor M2, Rat | 1.7 | 0.51 | Binding ≤ 1μM |
| ACM3_HUMAN | P20309 | Muscarinic Acetylcholine Receptor M3, Human | 23 | 0.45 | Binding ≤ 1μM |
| ACM4_HUMAN | P08173 | Muscarinic Acetylcholine Receptor M4, Human | 23 | 0.45 | Binding ≤ 1μM |
| ACM5_HUMAN | P08912 | Muscarinic Acetylcholine Receptor M5, Human | 23 | 0.45 | Binding ≤ 1μM |
| AMYP_RAT | P00689 | Pancreatic Alpha-amylase, Rat | 46 | 0.43 | Binding ≤ 1μM |
| Q8WMX0_BOVIN | Q8WMX0 | Muscarinic Acetylcholine Receptor M1, Bovin | 51 | 0.43 | Binding ≤ 10μM |
| ACM1_HUMAN | P11229 | Muscarinic Acetylcholine Receptor M1, Human | 2.1 | 0.51 | Binding ≤ 10μM |
| ACM2_RAT | P10980 | Muscarinic Acetylcholine Receptor M2, Rat | 1.7 | 0.51 | Binding ≤ 10μM |
| ACM2_HUMAN | P08172 | Muscarinic Acetylcholine Receptor M2, Human | 23 | 0.45 | Binding ≤ 10μM |
| ACM3_HUMAN | P20309 | Muscarinic Acetylcholine Receptor M3, Human | 23 | 0.45 | Binding ≤ 10μM |
| ACM4_HUMAN | P08173 | Muscarinic Acetylcholine Receptor M4, Human | 23 | 0.45 | Binding ≤ 10μM |
| ACM5_HUMAN | P08912 | Muscarinic Acetylcholine Receptor M5, Human | 23 | 0.45 | Binding ≤ 10μM |
| AMYP_RAT | P00689 | Pancreatic Alpha-amylase, Rat | 46 | 0.43 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Acetylcholine regulates insulin secretion | |
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Muscarinic acetylcholine receptors |
