arecoline
| SMILES | COC(=O)C1=CCCN(C1)C |
| InChIKey | HJJPJSXJAXAIPN-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 1 |
| Molecular weight (Da) | 155.1 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Sankey plot
Compound is not listed as a drug.
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 5.7 | 5.7 | 5.7 | Guide to Pharmacology |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 5.2 | 5.2 | 5.2 | Guide to Pharmacology |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 5.4 | 5.4 | 5.4 | Guide to Pharmacology |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 5.5 | 5.5 | 5.5 | Guide to Pharmacology |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pKi | 5.3 | 5.3 | 5.3 | Guide to Pharmacology |
| M4 | ACM4 | Rat | Acetylcholine (muscarinic) | A | pKi | 5.62 | 5.62 | 5.62 | ChEMBL |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pKi | 4.06 | 4.07 | 4.07 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 7.54 | 7.96 | 8.39 | PDSP Ki database |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 4.22 | 5.76 | 7.58 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 4.37 | 4.8 | 5.24 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 5.61 | 6.69 | 7.4 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 4.53 | 5.64 | 7.85 | ChEMBL |
| M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pKi | 5.28 | 5.28 | 5.28 | PDSP Ki database |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 7.37 | 7.37 | 7.37 | PDSP Ki database |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 7.22 | 7.22 | 7.22 | PDSP Ki database |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 7.25 | 7.25 | 7.25 | PDSP Ki database |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 8.62 | 8.62 | 8.62 | PDSP Ki database |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 4.25 | 4.25 | 4.25 | ChEMBL |
| M1 | ACM1 | Mouse | Acetylcholine (muscarinic) | A | pKi | 8.26 | 8.37 | 8.48 | ChEMBL |
| M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pKi | 7.4 | 7.4 | 7.4 | ChEMBL |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pKi | 5.23 | 5.23 | 5.23 | PDSP Ki database |
| M3 | ACM3 | Rat | Acetylcholine (muscarinic) | A | pKi | 5.24 | 5.24 | 5.24 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| M3 | ACM3 | Mouse | Acetylcholine (muscarinic) | A | pEC50 | 4.92 | 4.92 | 4.92 | ChEMBL |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pIC50 | 4.92 | 6.12 | 7.11 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pIC50 | 4.32 | 4.6 | 4.87 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pEC50 | 6.89 | 6.89 | 6.89 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pIC50 | 4.24 | 4.6 | 4.96 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pEC50 | 6.47 | 6.73 | 7.0 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.35 | 5.55 | 5.75 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pEC50 | 5.0 | 6.56 | 7.6 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pIC50 | 4.19 | 5.8 | 6.94 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pEC50 | 5.25 | 5.38 | 5.5 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pIC50 | 4.2 | 4.2 | 4.2 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pEC50 | 6.22 | 6.22 | 6.22 | ChEMBL |
| M1 | ACM1 | Mouse | Acetylcholine (muscarinic) | A | pEC50 | 4.57 | 4.57 | 4.57 | ChEMBL |
| M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pIC50 | 4.96 | 5.41 | 6.23 | ChEMBL |