ENDO-ATROPINE
| SMILES | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2 |
| InChIKey | RKUNBYITZUJHSG-VFSICIBPSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 289.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| M5 | ACM5 | Rat | Acetylcholine (muscarinic) | A | pKi | 8.74 | 8.74 | 8.74 | ChEMBL |
| M4 | ACM4 | Rat | Acetylcholine (muscarinic) | A | pKi | 9.25 | 9.25 | 9.25 | ChEMBL |
| M3 | ACM3 | Rat | Acetylcholine (muscarinic) | A | pKi | 9.02 | 9.02 | 9.02 | ChEMBL |
| M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pKi | 8.57 | 8.57 | 8.57 | ChEMBL |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pKi | 9.06 | 9.06 | 9.06 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 8.52 | 9.33 | 9.85 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 9.57 | 9.57 | 9.57 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 7.89 | 8.3 | 8.55 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 9.57 | 9.57 | 9.57 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |