| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 2nd, 2009 | 12 | Yes |
Popular Name: Isoxazolo[4,5-c]pyridine, 4,5,6,7-tetrahydro-3-methoxy-5-methyl- (9CI) Isoxazolo[4,5-c]pyridine, 4,5,6,…
Find On: PubMed — Wikipedia — Google
CAS Number: 95579-22-9
| 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) | 0.61 | 2.55 | -42.75 | 1 | 4 | 1 | 40 | 169.204 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.61 | 0.13 | -6.08 | 0 | 4 | 0 | 39 | 168.196 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACM1-1-E | Muscarinic Acetylcholine Receptor M1 (cluster #1 Of 5), Eukaryotic | Eukaryotes | 6400 | 0.61 | Binding ≤ 10μM |
| ACM3-3-E | Muscarinic Acetylcholine Receptor M3 (cluster #3 Of 5), Eukaryotic | Eukaryotes | 800 | 0.71 | Binding ≤ 10μM |
| Z104303-1-O | Muscarinic Acetylcholine Receptor (cluster #1 Of 7), Other | Other | 28 | 0.88 | Binding ≤ 10μM |
| Z50512-1-O | Cavia Porcellus (cluster #1 Of 7), Other | Other | 830 | 0.71 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104303 | Z104303 | Muscarinic Acetylcholine Receptor | 28 | 0.88 | Binding ≤ 1μM |
| ACM3_HUMAN | P20309 | Muscarinic Acetylcholine Receptor M3, Human | 800 | 0.71 | Binding ≤ 1μM |
| Z104303 | Z104303 | Muscarinic Acetylcholine Receptor | 28 | 0.88 | Binding ≤ 10μM |
| ACM1_RAT | P08482 | Muscarinic Acetylcholine Receptor M1, Rat | 6400 | 0.61 | Binding ≤ 10μM |
| ACM3_HUMAN | P20309 | Muscarinic Acetylcholine Receptor M3, Human | 800 | 0.71 | Binding ≤ 10μM |
| Z50512 | Z50512 | Cavia Porcellus | 830 | 0.71 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Acetylcholine regulates insulin secretion | |
| G alpha (q) signalling events | |
| Muscarinic acetylcholine receptors |
No pre-computed analogs available. Try a structural similarity search.