CHEMBL2407950
SMILES | Cc1cc(/C(CC(c2ccc(Br)cc2)c2ccccc2C)=N/O)ccn1 |
InChIKey | LNPHHOCWZOSXKI-YYDJUVGSSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 408.1 |
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 | 6.13 | 6.13 | 6.13 | ChEMBL |
GPBA | GPBAR | Human | Bile acid | A | pEC50 | 6.3 | 6.92 | 7.55 | ChEMBL |