| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 19th, 2008 | 16 | Yes |
Popular Name: 5-methyl-1-(4-pyrrolidin-1-yl-but-2-ynyl)-pyrrolidin-2-one 5-methyl-1-(4-pyrrolidin-1-yl-bu…
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CAS Number: 72314-33-1
| 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) | 1.43 | 7.78 | -37.55 | 1 | 3 | 1 | 25 | 221.324 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACM1-2-E | Muscarinic Acetylcholine Receptor M1 (cluster #2 Of 5), Eukaryotic | Eukaryotes | 93 | 0.62 | Binding ≤ 10μM |
| ACM2-3-E | Muscarinic Acetylcholine Receptor M2 (cluster #3 Of 6), Eukaryotic | Eukaryotes | 93 | 0.62 | Binding ≤ 10μM |
| ACM3-2-E | Muscarinic Acetylcholine Receptor M3 (cluster #2 Of 5), Eukaryotic | Eukaryotes | 93 | 0.62 | Binding ≤ 10μM |
| ACM4-1-E | Muscarinic Acetylcholine Receptor M4 (cluster #1 Of 6), Eukaryotic | Eukaryotes | 93 | 0.62 | Binding ≤ 10μM |
| ACM5-1-E | Muscarinic Acetylcholine Receptor M5 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 93 | 0.62 | Binding ≤ 10μM |
| Z104303-2-O | Muscarinic Acetylcholine Receptor (cluster #2 Of 7), Other | Other | 56 | 0.63 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104303 | Z104303 | Muscarinic Acetylcholine Receptor | 1.5 | 0.77 | Binding ≤ 1μM |
| ACM1_HUMAN | P11229 | Muscarinic Acetylcholine Receptor M1, Human | 93 | 0.62 | Binding ≤ 1μM |
| ACM2_HUMAN | P08172 | Muscarinic Acetylcholine Receptor M2, Human | 93 | 0.62 | Binding ≤ 1μM |
| ACM3_HUMAN | P20309 | Muscarinic Acetylcholine Receptor M3, Human | 93 | 0.62 | Binding ≤ 1μM |
| ACM4_HUMAN | P08173 | Muscarinic Acetylcholine Receptor M4, Human | 93 | 0.62 | Binding ≤ 1μM |
| ACM5_HUMAN | P08912 | Muscarinic Acetylcholine Receptor M5, Human | 93 | 0.62 | Binding ≤ 1μM |
| Z104303 | Z104303 | Muscarinic Acetylcholine Receptor | 1.5 | 0.77 | Binding ≤ 10μM |
| ACM1_HUMAN | P11229 | Muscarinic Acetylcholine Receptor M1, Human | 93 | 0.62 | Binding ≤ 10μM |
| ACM2_HUMAN | P08172 | Muscarinic Acetylcholine Receptor M2, Human | 93 | 0.62 | Binding ≤ 10μM |
| ACM3_HUMAN | P20309 | Muscarinic Acetylcholine Receptor M3, Human | 93 | 0.62 | Binding ≤ 10μM |
| ACM4_HUMAN | P08173 | Muscarinic Acetylcholine Receptor M4, Human | 93 | 0.62 | Binding ≤ 10μM |
| ACM5_HUMAN | P08912 | Muscarinic Acetylcholine Receptor M5, Human | 93 | 0.62 | Binding ≤ 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.