CHEMBL3234558
| SMILES | Cc1nccc(N2CCC[C@@H](C(=O)NCCc3ccc(Cl)cc3)C2)n1 |
| InChIKey | JUPRRGMZRSUAOX-MRXNPFEDSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 358.2 |
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 | 6.92 | 6.92 | 6.92 | ChEMBL |
| GPBA | GPBAR | Human | Bile acid | A | pEC50 | 5.68 | 5.68 | 5.68 | ChEMBL |