| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2005 | 26 | No |
Popular Name: Clidinium Bromide Clidinium Bromide
(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2,2-diphenylacetate
1-Azoniabicyclo(2.2.2)octane, 3-((hydroxydiphenylacetyl)oxy)-1-methyl-
3-Hydroxy-1-methylquinuclidinium benzilate (ester)
3-hydroxy-1-methylquinuclidinium benzilate ester
3-hydroxy-1-methylquinuclidinium benzilate ester; Clidinium; N-methyl quinuclidinyl benzilate
3-{[hydroxy(diphenyl)acetyl]oxy}-1-methyl-1-azoniabicyclo[2.2.2]octane
3485-62-9; Clidinium bromide (USP/INN); D00716; Quarzan (TN)
3485-62-9; Clidinium bromide; Prestwick_71
Benzilic acid, ester with 3-hydroxy-1-methylquinuclidinium
bromure de clidinium; bromuro de clidinio; clidinii bromidum; clidinium bromide
N-Methyl quinuclidinyl benzilate
| 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) | -1.16 | 12.18 | -33.65 | 1 | 4 | 1 | 47 | 352.454 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 3.77e-04 g/l | DrugBank-approved |
| Therapy | anticholinergic | SMDC Iconix |
| PUBCHEM_PATENT_ID | EP0052074A2; EP0190969A2; EP0190969B1; EP0208617A1; EP0302693A2; EP0302693B1; EP0314206A1; EP0314206B1; EP0549331B1; EP0705085B1; EP0721348A1; EP0721348B1; EP0721349A1; EP0735854A1; EP0783341A2; EP0828516A1; EP0837862A1; EP0845217A1; EP0868915A1; EP093831 | IBM Patent Data |
| Indications | peptic ulcer, irritable bowel syndrome | KeyOrganics 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 | 0 | 0.00 | Binding ≤ 10μM |
| ACM2-1-E | Muscarinic Acetylcholine Receptor M2 (cluster #1 Of 6), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| ACM3-3-E | Muscarinic Acetylcholine Receptor M3 (cluster #3 Of 5), Eukaryotic | Eukaryotes | 1 | 0.48 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACM1_RAT | P08482 | Muscarinic Acetylcholine Receptor M1, Rat | 0.13 | 0.53 | Binding ≤ 1μM |
| ACM2_RAT | P10980 | Muscarinic Acetylcholine Receptor M2, Rat | 0.43 | 0.50 | Binding ≤ 1μM |
| ACM3_HUMAN | P20309 | Muscarinic Acetylcholine Receptor M3, Human | 0.65 | 0.49 | Binding ≤ 1μM |
| ACM1_RAT | P08482 | Muscarinic Acetylcholine Receptor M1, Rat | 0.13 | 0.53 | Binding ≤ 10μM |
| ACM2_RAT | P10980 | Muscarinic Acetylcholine Receptor M2, Rat | 0.43 | 0.50 | Binding ≤ 10μM |
| ACM3_HUMAN | P20309 | Muscarinic Acetylcholine Receptor M3, Human | 0.65 | 0.49 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Acetylcholine regulates insulin secretion | |
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Muscarinic acetylcholine receptors |
