CHEMBL3414847
| SMILES | CC[C@@H]1SC2(CCNCC2)N(CCCCCCCCOc2ccc3cc(Cn4cc(C(=O)O)c(=O)c5cccc(F)c54)ccc3c2)C1=O |
| InChIKey | WYMRBWZIWVHPHT-XIFFEERXSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 14 |
| Molecular weight (Da) | 673.3 |
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 |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKd | 6.78 | 6.78 | 6.78 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pEC50 | 7.22 | 7.22 | 7.22 | ChEMBL |