N-methyl scopolamine
| SMILES | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 |
| InChIKey | LZCOQTDXKCNBEE-XJMZPCNVSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 318.2 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | Yes |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 9.9 | 9.9 | 9.9 | Guide to Pharmacology |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKd | 9.4 | 9.85 | 10.3 | Guide to Pharmacology |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 10.4 | 10.4 | 10.4 | Guide to Pharmacology |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKd | 9.66 | 9.94 | 10.22 | Guide to Pharmacology |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKd | 9.3 | 9.6 | 9.9 | Guide to Pharmacology |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKd | 9.85 | 10.04 | 10.22 | Guide to Pharmacology |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKd | 9.3 | 9.5 | 9.7 | Guide to Pharmacology |
| M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pKd | 9.5 | 9.5 | 9.5 | Guide to Pharmacology |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pKd | 9.7 | 9.7 | 9.7 | Guide to Pharmacology |
| M3 | ACM3 | Rat | Acetylcholine (muscarinic) | A | pKd | 10.0 | 10.0 | 10.0 | Guide to Pharmacology |
| M2 | Q8VH27 | Guinea pig | Acetylcholine (muscarinic) | A | pKd | 9.33 | 9.33 | 9.33 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 8.95 | 9.5 | 9.68 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 9.85 | 9.85 | 9.85 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKd | 8.19 | 8.19 | 8.19 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 9.8 | 9.85 | 9.87 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 7.98 | 9.33 | 10.2 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKd | 9.33 | 9.33 | 9.33 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 9.49 | 9.65 | 10.02 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.0 | 8.0 | 8.0 | Drug Central |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 8.01 | 8.01 | 8.01 | Drug Central |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 7.98 | 7.98 | 7.98 | Drug Central |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 8.0 | 8.0 | 8.0 | Drug Central |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 8.01 | 8.01 | 8.01 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| M3 | ACM3 | Rat | Acetylcholine (muscarinic) | A | pEC50 | 9.71 | 10.01 | 10.3 | ChEMBL |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 7.85 | 7.88 | 7.9 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pIC50 | 8.64 | 8.64 | 8.64 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pIC50 | 8.64 | 8.64 | 8.64 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pIC50 | 8.96 | 8.96 | 8.96 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pIC50 | 6.3 | 6.86 | 8.37 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pIC50 | 8.74 | 8.74 | 8.74 | ChEMBL |
| TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 6.1 | 6.1 | 6.1 | ChEMBL |
| M3 | ACM3 | Rat | Acetylcholine (muscarinic) | A | pEC50 | 7.99 | 7.99 | 7.99 | Drug Central |