compound 42 [PMID: 22545772]
| SMILES | N#Cc1cnccc1COc1cnc(nc1)N1CCN(C[C@@H]1C)c1noc(n1)C(C)C |
| InChIKey | UNGZTVLHLKAKQE-HNNXBMFYSA-N |
Chemical properties
| Hydrogen bond acceptors | 10 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 420.2 |
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 |
| M2 | ACM2 | Mouse | Acetylcholine (muscarinic) | A | pKi | 5.02 | 5.68 | 6.34 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| M1 | ACM1 | Mouse | Acetylcholine (muscarinic) | A | pIC50 | 5.42 | 5.42 | 5.42 | ChEMBL |
| M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pIC50 | 5.17 | 5.17 | 5.17 | ChEMBL |