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 | Mouse | Bile acid | A | pEC50 | 5.59 | 5.59 | 5.59 | ChEMBL |
GPBA | GPBAR | Human | Bile acid | A | pEC50 | 8.0 | 8.0 | 8.0 | ChEMBL |