CHEMBL4202994
SMILES | O=C(NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c1ccc(OCc2cc(Cl)c(CN3CSC[C@H]3C(=O)N3CCN(C4CC4)c4ccccc43)cc2Cl)cn1 |
InChIKey | OEFRWDUOIDAHSO-WWPLQOFTSA-N |
Chemical properties
Hydrogen bond acceptors | 12 |
Hydrogen bond donors | 6 |
Rotatable bonds | 14 |
Molecular weight (Da) | 761.2 |
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 | 8.1 | 8.1 | 8.1 | ChEMBL |
GPBA | GPBAR | Human | Bile acid | A | pEC50 | 6.7 | 6.7 | 6.7 | ChEMBL |