| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 2nd, 2009 | 12 | Yes |
Popular Name: Isoxazolo[4,5-c]pyridine, 3-ethoxy-4,5,6,7-tetrahydro- (9CI) Isoxazolo[4,5-c]pyridine, 3-etho…
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CAS Number: 95579-18-3
| 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) | 0.75 | 1.18 | -49.43 | 2 | 4 | 1 | 52 | 169.204 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.75 | -0.26 | -6.06 | 1 | 4 | 0 | 47 | 168.196 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACM3-3-E | Muscarinic Acetylcholine Receptor M3 (cluster #3 Of 5), Eukaryotic | Eukaryotes | 3400 | 0.64 | Binding ≤ 10μM |
| Z104303-1-O | Muscarinic Acetylcholine Receptor (cluster #1 Of 7), Other | Other | 6000 | 0.61 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104303 | Z104303 | Muscarinic Acetylcholine Receptor | 6000 | 0.61 | Binding ≤ 10μM |
| ACM3_HUMAN | P20309 | Muscarinic Acetylcholine Receptor M3, Human | 3400 | 0.64 | Binding ≤ 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.