AQ-RA 741
| SMILES | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC |
| InChIKey | BCUGCHZRMKTPMU-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 9 |
| Molecular weight (Da) | 463.3 |
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 |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 7.2 | 7.35 | 7.5 | Guide to Pharmacology |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 8.4 | 8.4 | 8.4 | Guide to Pharmacology |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 7.2 | 7.25 | 7.3 | Guide to Pharmacology |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 7.8 | 8.0 | 8.2 | Guide to Pharmacology |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 6.1 | 6.95 | 7.8 | Guide to Pharmacology |
| M3 | ACM3 | Rat | Acetylcholine (muscarinic) | A | pKi | 6.6 | 6.7 | 6.8 | ChEMBL |
| M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pKi | 8.3 | 8.39 | 8.49 | ChEMBL |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pKi | 6.98 | 7.29 | 7.6 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 6.82 | 7.01 | 7.2 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKd | 8.03 | 8.27 | 8.5 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 7.84 | 8.17 | 8.37 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 6.59 | 7.14 | 7.54 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 7.87 | 8.05 | 8.19 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 5.9 | 6.0 | 6.08 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pKi | 6.13 | 6.13 | 6.13 | ChEMBL |
| D5 | DRD5 | Human | Dopamine | A | pKi | 5.73 | 5.73 | 5.73 | ChEMBL |
| M4 | ACM4 | Rat | Acetylcholine (muscarinic) | A | pKi | 8.0 | 8.0 | 8.0 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pIC50 | 6.03 | 6.03 | 6.03 | ChEMBL |