CHEMBL3290712
SMILES | O=C(c1cnccc1Oc1ccc2ncsc2c1)N1CCN(C2CC2)c2ccccc21 |
InChIKey | VHUOGBXOCIUGBI-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 0 |
Rotatable bonds | 4 |
Molecular weight (Da) | 428.1 |
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 | Mouse | Bile acid | A | pEC50 | 7.22 | 7.22 | 7.22 | ChEMBL |
GPBA | GPBAR | Human | Bile acid | A | pEC50 | 7.82 | 7.82 | 7.82 | ChEMBL |