CHEMBL5594532
| SMILES | Cc1ncc(S(=O)(=O)N2CCC(c3cn4ncnc4cc3Cl)CC2)s1 |
| InChIKey | BERMJSYQKUTHBC-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 397.0 |
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 | 7.29 | 7.29 | 7.29 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 5.68 | 5.68 | 5.68 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 5.96 | 5.96 | 5.96 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| M5 | ACM5 | Mouse | Acetylcholine (muscarinic) | A | pIC50 | 7.31 | 7.31 | 7.31 | ChEMBL |
| M5 | ACM5 | Rat | Acetylcholine (muscarinic) | A | pIC50 | 6.8 | 6.8 | 6.8 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pIC50 | 7.3 | 7.3 | 7.3 | ChEMBL |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pIC50 | 5.19 | 5.19 | 5.19 | ChEMBL |