| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2009 | 21 | No |
Popular Name: 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-octoxy-1,2,5-thiadiazole 3-(1-methyl-3,6-dihydro-2H-pyrid…
| 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) | 4.80 | 8.06 | -38.25 | 1 | 4 | 1 | 39 | 310.487 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.80 | 5.64 | -3.19 | 0 | 4 | 0 | 38 | 309.479 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACM1-1-E | Muscarinic Acetylcholine Receptor M1 (cluster #1 Of 5), Eukaryotic | Eukaryotes | 40 | 0.49 | Binding ≤ 10μM |
| Z104303-1-O | Muscarinic Acetylcholine Receptor (cluster #1 Of 7), Other | Other | 30 | 0.50 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104303 | Z104303 | Muscarinic Acetylcholine Receptor | 30 | 0.50 | Binding ≤ 1μM |
| ACM1_RAT | P08482 | Muscarinic Acetylcholine Receptor M1, Rat | 30 | 0.50 | Binding ≤ 1μM |
| Z104303 | Z104303 | Muscarinic Acetylcholine Receptor | 30 | 0.50 | Binding ≤ 10μM |
| ACM1_RAT | P08482 | Muscarinic Acetylcholine Receptor M1, Rat | 30 | 0.50 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Muscarinic acetylcholine receptors |
