CHEMBL4127302
| SMILES | COc1ccc(C(C)(C)c2cnc(SCCOCc3ccc(C#N)cc3)n2-c2ccc(F)cc2)cc1OC |
| InChIKey | LLBRZFXGFGQSFK-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 11 |
| Molecular weight (Da) | 531.2 |
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 |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| GPBA | GPBAR | Human | Bile acid | A | pEC50 | 8.64 | 8.64 | 8.64 | ChEMBL |