CHEMBL76779
SMILES | COc1ccc(Br)cc1S(=O)(=O)Nc1onc(C)c1C |
InChIKey | KGCZXCVHEKKOHY-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 360.0 |
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 | Human | Endothelin | A | pIC50 | 6.33 | 6.33 | 6.33 | ChEMBL |
ETB | EDNRB | Human | Endothelin | A | pIC50 | 4.7 | 4.7 | 4.7 | ChEMBL |