SCOPOLAMINE
| SMILES | CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12 |
| InChIKey | STECJAGHUSJQJN-ODICJLLRSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 303.1 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | No |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| M3 | ACM3 | Rat | Acetylcholine (muscarinic) | A | pKd | 9.19 | 9.19 | 9.19 | ChEMBL |
| M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pKi | 8.34 | 8.34 | 8.34 | ChEMBL |
| M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pKd | 8.52 | 8.52 | 8.52 | ChEMBL |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pKi | 9.28 | 9.28 | 9.28 | ChEMBL |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pKd | 9.12 | 9.12 | 9.12 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 7.75 | 8.32 | 8.89 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 7.43 | 7.43 | 7.43 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 8.19 | 8.19 | 8.19 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 7.54 | 8.25 | 8.52 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.12 | 8.12 | 8.12 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.05 | 8.05 | 8.05 | Drug Central |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 8.05 | 8.05 | 8.05 | Drug Central |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 8.03 | 8.03 | 8.03 | Drug Central |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 8.03 | 8.03 | 8.03 | Drug Central |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
| M1 | ACM1 | Fruit fly | Acetylcholine (muscarinic) | A | pKi | 8.04 | 8.04 | 8.04 | Drug Central |
| M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pKd | 8.07 | 8.07 | 8.07 | Drug Central |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pKi | 8.03 | 8.03 | 8.03 | Drug Central |
| M3 | ACM3 | Rat | Acetylcholine (muscarinic) | A | pKd | 8.04 | 8.04 | 8.04 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pIC50 | 8.27 | 8.65 | 9.24 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pIC50 | 8.36 | 8.62 | 8.82 | ChEMBL |