CHEMBL3219054
SMILES | CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2C3CCC2CC(OC(=O)Nc2ccccc2-c2ccc(O)c(Cl)c2)C3)ccc1O |
InChIKey | YUFFZHVXHZKZLX-SCAWEBRLSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 6 |
Rotatable bonds | 18 |
Molecular weight (Da) | 742.3 |
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 |
M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 8.05 | 8.05 | 8.05 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 7.64 | 7.64 | 7.64 | ChEMBL |