CHEMBL71124
SMILES | COc1ccc([S+]([O-])c2ccc(C(C)C3CCN(C4CCCCC4)CC3)cc2)cc1 |
InChIKey | NDXFHBBFUCQHAL-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 0 |
Rotatable bonds | 6 |
Molecular weight (Da) | 425.2 |
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 | 8.78 | 8.78 | 8.78 | ChEMBL |
M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 10.15 | 10.15 | 10.15 | ChEMBL |
M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 9.8 | 9.8 | 9.8 | ChEMBL |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 9.85 | 9.85 | 9.85 | ChEMBL |
M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 9.28 | 9.28 | 9.28 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |