CHEMBL3354067
| SMILES | CN1CCC=C(c2nsnc2OCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 |
| InChIKey | JOMFXRAREZYSMG-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 12 |
| Molecular weight (Da) | 537.3 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 8.25 | 8.25 | 8.25 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 8.1 | 8.1 | 8.1 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 8.33 | 8.33 | 8.33 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 7.96 | 7.96 | 7.96 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.17 | 8.17 | 8.17 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pIC50 | 6.2 | 6.33 | 6.45 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pEC50 | 5.15 | 6.33 | 7.51 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.27 | 5.61 | 6.19 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pEC50 | 7.69 | 7.69 | 7.69 | ChEMBL |