| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 7th, 2009 | 21 | Yes |
Popular Name: 1-[2-cyclopropyl-6-(3-methylazetidin-1-yl)pyrimidin-4-yl]azepane 1-[2-cyclopropyl-6-(3-methylazet…
| 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) | 3.16 | 8.37 | -24.19 | 1 | 4 | 1 | 34 | 287.431 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.16 | 8.25 | -4.83 | 0 | 4 | 0 | 32 | 286.423 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACM3-1-E | Muscarinic Acetylcholine Receptor M3 (cluster #1 Of 5), Eukaryotic | Eukaryotes | 13 | 0.53 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACM3_HUMAN | P20309 | Muscarinic Acetylcholine Receptor M3, Human | 13 | 0.53 | Binding ≤ 1μM |
| ACM3_HUMAN | P20309 | Muscarinic Acetylcholine Receptor M3, Human | 13 | 0.53 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Acetylcholine regulates insulin secretion | |
| G alpha (q) signalling events | |
| Muscarinic acetylcholine receptors |
