CHEMBL1197251
| SMILES | O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 |
| InChIKey | XQODGRWXBOXGGN-WRDKKKNXSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 454.2 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 10.1 | 10.1 | 10.1 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 10.1 | 10.1 | 10.1 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 10.1 | 10.1 | 10.1 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pIC50 | 8.57 | 9.13 | 9.7 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pIC50 | 9.74 | 9.74 | 9.74 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pIC50 | 9.85 | 9.85 | 9.85 | ChEMBL |