W-84
| SMILES | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 |
| InChIKey | WDAXQFXYXWPELC-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 15 |
| Molecular weight (Da) | 548.3 |
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 |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 5.85 | 6.61 | 7.5 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKd | 6.34 | 6.65 | 6.83 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 7.6 | 7.6 | 7.6 | Guide to Pharmacology |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKd | 6.0 | 6.75 | 7.5 | Guide to Pharmacology |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| M2 | ACM2 | Pig | Acetylcholine (muscarinic) | A | pEC50 | 5.84 | 6.25 | 7.87 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pIC50 | 6.32 | 6.32 | 6.32 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pEC50 | 6.0 | 6.0 | 6.0 | ChEMBL |