CHEMBL2181246
| SMILES | O=C(c1cccnc1Oc1cc(Cl)ccc1Cl)N1CCCc2ccccc21 |
| InChIKey | AUSHPRSBIDTALC-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 398.1 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | No |
Database connections
| Structure pdb | 7XTQ |
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 | 8.0 | 8.0 | 8.0 | ChEMBL |