CHEMBL3234554
SMILES | O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCN(c2ncc(F)cn2)C1 |
InChIKey | KUTJEWYDBTYQNW-CQSZACIVSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 362.1 |
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 | 6.8 | 6.8 | 6.8 | ChEMBL |
GPBA | GPBAR | Human | Bile acid | A | pEC50 | 7.02 | 7.02 | 7.02 | ChEMBL |