CHEMBL2331649
SMILES | CCNc1nc2c(c(C(N)=O)n1)CN(C(=O)CCc1ccc(SC(F)(F)F)cc1)CC2 |
InChIKey | RCQZPPJSFWRFOE-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 7 |
Molecular weight (Da) | 453.1 |
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 | 7.32 | 8.06 | 8.8 | ChEMBL |