CHEMBL1257260
SMILES | CCOc1ccc2cc(CNCCc3ccc(Br)cc3)c(-c3ccsc3)nc2c1 |
InChIKey | IPKVFQNNIKJJLC-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 466.1 |
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 | pIC50 | 5.03 | 5.03 | 5.03 | ChEMBL |
GPBA | GPBAR | Human | Bile acid | A | pIC50 | 5.35 | 5.35 | 5.35 | ChEMBL |