CHEMBL3132968
SMILES | COc1cccc(-n2nnc(C3CC3)c2C(=O)N(C)c2ccc(C(F)(F)F)nc2)c1 |
InChIKey | SIYIDLQTFQVRDM-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 0 |
Rotatable bonds | 5 |
Molecular weight (Da) | 417.1 |
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 | Human | Bile acid | A | pEC50 | 6.8 | 6.8 | 6.8 | ChEMBL |