CHEMBL4211208
SMILES | O=C([C@@H]1CSCN1Cc1cc(C2CC2)ccc1Cl)N1CCN(C2CC2)c2ccccc21 |
InChIKey | CGWKETQXTZJHHX-DEOSSOPVSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 5 |
Molecular weight (Da) | 453.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
GPBA | GPBAR | Mouse | Bile acid | A | pEC50 | 6.1 | 6.1 | 6.1 | ChEMBL |
GPBA | GPBAR | Human | Bile acid | A | pEC50 | 6.3 | 6.3 | 6.3 | ChEMBL |