CHEMBL3354073
| SMILES | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCO)CC1 |
| InChIKey | QKTOQRPNKITPLN-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 9 |
| Molecular weight (Da) | 358.3 |
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 | 5.34 | 5.34 | 5.34 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 6.35 | 6.35 | 6.35 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 5.72 | 5.72 | 5.72 | ChEMBL |
| D4 | DRD4 | Human | Dopamine | A | pKi | 8.36 | 8.36 | 8.36 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 6.22 | 6.22 | 6.22 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 6.33 | 6.33 | 6.33 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 6.17 | 6.17 | 6.17 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 5.93 | 5.93 | 5.93 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pIC50 | 4.91 | 5.39 | 5.79 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pEC50 | 5.7 | 5.7 | 5.7 | ChEMBL |
| D4 | DRD4 | Human | Dopamine | A | pIC50 | 6.82 | 6.86 | 6.9 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pIC50 | 4.58 | 5.71 | 7.54 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pEC50 | 6.69 | 6.82 | 6.95 | ChEMBL |