CHEMBL2331646
SMILES | CCNc1nc2c(c(C(N)=O)n1)CN(C(=O)CCc1ccc(C(C)C)cc1)CC2 |
InChIKey | BXJNYBTXBRHAEU-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 7 |
Molecular weight (Da) | 395.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Structure pdb | 7CFM |
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 | Rat | Bile acid | A | pEC50 | 5.41 | 5.41 | 5.41 | ChEMBL |
GPBA | GPBAR | Mouse | Bile acid | A | pEC50 | 5.25 | 5.25 | 5.25 | ChEMBL |
GPBA | GPBAR | Human | Bile acid | A | pEC50 | 6.8 | 7.7 | 8.6 | ChEMBL |