CHEMBL81878
| SMILES | COc1cccc(C#CCO/N=C2\CN3CCC2C3)c1 |
| InChIKey | FXBXWJPMXQHOGD-WUKNDPDISA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 270.1 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | No |
Database connections
| Ligand site mutations | M2 |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pIC50 | 6.82 | 6.82 | 6.82 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pEC50 | 4.55 | 4.56 | 4.57 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pIC50 | 4.28 | 4.28 | 4.28 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pEC50 | 5.15 | 5.15 | 5.15 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.12 | 5.12 | 5.12 | ChEMBL |