CHEMBL2165334
SMILES | O=S(=O)(NCc1ccccc1)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1 |
InChIKey | VIQIKJNRAFJKTQ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 2 |
Rotatable bonds | 11 |
Molecular weight (Da) | 634.0 |
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 |
ETB | EDNRB | Human | Endothelin | A | pIC50 | 6.34 | 6.34 | 6.34 | ChEMBL |
ETA | EDNRA | Human | Endothelin | A | pIC50 | 8.8 | 8.8 | 8.8 | ChEMBL |