CHEMBL216927
| SMILES | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 |
| InChIKey | KQHKTHFVDIBYJZ-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 13 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 16 |
| Molecular weight (Da) | 487.2 |
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 |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 6.4 | 6.4 | 6.4 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 8.6 | 8.6 | 8.6 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 7.6 | 7.6 | 7.6 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKd | 6.8 | 6.8 | 6.8 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 8.1 | 8.1 | 8.1 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 7.3 | 7.45 | 7.6 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pIC50 | 7.8 | 7.85 | 7.9 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pIC50 | 9.3 | 9.3 | 9.3 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pEC50 | 5.7 | 6.67 | 7.2 | ChEMBL |