CHEMBL3354074
| SMILES | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCO)CC1 |
| InChIKey | WOWRXMYCLGLRFQ-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 11 |
| Molecular weight (Da) | 386.3 |
Drug properties
| Molecular type | Small molecule |
| Physiological/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 | 5.51 | 5.51 | 5.51 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 6.41 | 6.41 | 6.41 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 6.2 | 6.2 | 6.2 | ChEMBL |
| D4 | DRD4 | Human | Dopamine | A | pKi | 7.0 | 7.0 | 7.0 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 6.68 | 6.68 | 6.68 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 6.45 | 6.45 | 6.45 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 6.02 | 6.02 | 6.02 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 6.03 | 6.03 | 6.03 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.83 | 6.05 | 6.23 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pEC50 | 6.64 | 6.97 | 7.16 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.94 | 5.94 | 5.94 | ChEMBL |