CHEMBL4528516
| SMILES | CCCNS(=O)(=O)Nc1ncnc(OCCOc2cc(OC)ccc2Cl)c1-c1ncc(SC)cn1 |
| InChIKey | TYLZGSIGPRVNQJ-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 10 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 13 |
| Molecular weight (Da) | 540.1 |
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 |
| ETB | EDNRB | Human | Endothelin | A | pIC50 | 6.51 | 6.51 | 6.51 | ChEMBL |
| ETA | EDNRA | Human | Endothelin | A | pIC50 | 9.3 | 9.3 | 9.3 | ChEMBL |