CHEMBL2181223
| SMILES | COc1cccc(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc32)c1 |
| InChIKey | GMYIRAMSQWVPGP-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 401.2 |
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 | Mouse | Bile acid | A | pEC50 | 7.58 | 7.58 | 7.58 | ChEMBL |
| GPBA | GPBAR | Human | Bile acid | A | pEC50 | 7.92 | 7.92 | 7.92 | ChEMBL |