CHEMBL3234562
SMILES | N#Cc1ccc(CCNC(=O)[C@@H]2CCCN(c3nccc(C(F)(F)F)n3)C2)cc1 |
InChIKey | JHOBZVPFLCMSFQ-MRXNPFEDSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 403.2 |
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 | 6.89 | 6.89 | 6.89 | ChEMBL |
GPBA | GPBAR | Human | Bile acid | A | pEC50 | 7.77 | 7.77 | 7.77 | ChEMBL |