CHEMBL4128816
SMILES | COc1ccc(C(C)(C)c2cnc(S(=O)(=O)CCOCc3ccc(C#N)cc3)n2-c2ccc(F)cc2)cc1OC |
InChIKey | BLMCHCHDAFVPCE-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 0 |
Rotatable bonds | 11 |
Molecular weight (Da) | 563.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/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 | 7.02 | 7.02 | 7.02 | ChEMBL |