bethanechol
| SMILES | CC(C[N+](C)(C)C)OC(=O)N |
| InChIKey | NZUPCNDJBJXXRF-UHFFFAOYSA-O |
Chemical properties
| Hydrogen bond acceptors | 2 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 161.1 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 4.0 | 4.0 | 4.0 | Guide to Pharmacology |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 4.2 | 4.2 | 4.2 | Guide to Pharmacology |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 4.0 | 4.0 | 4.0 | Guide to Pharmacology |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pKi | 3.7 | 3.7 | 3.7 | Guide to Pharmacology |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.4 | 8.4 | 8.4 | Drug Central |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 8.4 | 8.4 | 8.4 | Drug Central |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 8.38 | 8.38 | 8.38 | Drug Central |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 8.4 | 8.4 | 8.4 | Drug Central |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 4.0 | 4.0 | 4.0 | Guide to Pharmacology |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| M2 | Q8VH27 | Guinea pig | Acetylcholine (muscarinic) | A | pEC50 | 8.22 | 8.22 | 8.22 | Drug Central |
| M2 | Q8VH27 | Guinea pig | Acetylcholine (muscarinic) | A | pEC50 | 5.85 | 5.92 | 6.0 | ChEMBL |