| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2005 | 14 | Yes |
Popular Name: ALVAMELINE ALVAMELINE
Find On: PubMed — Wikipedia — Google
CAS Numbers: 120241-31-8 , 219581-36-9
219581-36-9; Alvameline maleate (USAN); D02876
5-(2-ethyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine
Alvameline (INN); Alvameline Maleate (USAN)
Pyridine,3-(2-ethyl-2H-tetrazol-5-yl)-1,2,5,6-tetrahydro-1-methyl-
| 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) | 0.19 | 1.76 | -38.47 | 1 | 5 | 1 | 48 | 194.262 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACM1-1-E | Muscarinic Acetylcholine Receptor M1 (cluster #1 Of 5), Eukaryotic | Eukaryotes | 36 | 0.74 | Binding ≤ 10μM |
| ACM2-3-E | Muscarinic Acetylcholine Receptor M2 (cluster #3 Of 3), Eukaryotic | Eukaryotes | 3200 | 0.55 | Functional ≤ 10μM |
| ACM3-3-E | Muscarinic Acetylcholine Receptor M3 (cluster #3 Of 3), Eukaryotic | Eukaryotes | 3200 | 0.55 | Functional ≤ 10μM |
| Z104303-3-O | Muscarinic Acetylcholine Receptor (cluster #3 Of 7), Other | Other | 9 | 0.80 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104303 | Z104303 | Muscarinic Acetylcholine Receptor | 340 | 0.65 | Binding ≤ 1μM |
| ACM1_RAT | P08482 | Muscarinic Acetylcholine Receptor M1, Rat | 36 | 0.74 | Binding ≤ 1μM |
| Z104303 | Z104303 | Muscarinic Acetylcholine Receptor | 340 | 0.65 | Binding ≤ 10μM |
| ACM1_RAT | P08482 | Muscarinic Acetylcholine Receptor M1, Rat | 36 | 0.74 | Binding ≤ 10μM |
| ACM2_HUMAN | P08172 | Muscarinic Acetylcholine Receptor M2, Human | 3200 | 0.55 | Functional ≤ 10μM |
| ACM3_HUMAN | P20309 | Muscarinic Acetylcholine Receptor M3, Human | 3200 | 0.55 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Acetylcholine regulates insulin secretion | |
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Muscarinic acetylcholine receptors |
No pre-computed analogs available. Try a structural similarity search.