CHEMBL3234550
SMILES | Cc1ccnc(N2CCC[C@@H](C(=O)NCCc3ccccc3)C2)n1 |
InChIKey | PFRXLDQEKSBHSA-QGZVFWFLSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 324.2 |
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 | 4.58 | 4.58 | 4.58 | ChEMBL |
GPBA | GPBAR | Human | Bile acid | A | pEC50 | 5.24 | 5.24 | 5.24 | ChEMBL |