CHEMBL5076535
| SMILES | COc1ccc([C@H](Cc2c(Cl)c[n+]([O-])cc2Cl)OC(=O)c2ccc(CNC(C(=O)OCCN(C)C)c3ccccc3)s2)cc1OC |
| InChIKey | NPCLLJJNGJAEPS-NPHAVVRNSA-N |
Chemical properties
| Hydrogen bond acceptors | 10 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 15 |
| Molecular weight (Da) | 687.2 |
Drug properties
| Molecular type | Unknown |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 7.9 | 8.65 | 9.4 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| M3 | ACM3 | Rat | Acetylcholine (muscarinic) | A | pIC50 | 7.1 | 7.5 | 7.9 | ChEMBL |