CHEMBL352775
SMILES | COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(SCCC(=O)O)nc1OCCOc1ncc(Br)cn1 |
InChIKey | ZFLGFHWMRBZNLJ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 12 |
Hydrogen bond donors | 2 |
Rotatable bonds | 15 |
Molecular weight (Da) | 733.1 |
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 |
ETA | EDNRA | Pig | Endothelin | A | pIC50 | 8.0 | 8.0 | 8.0 | ChEMBL |