CHEMBL2163701
SMILES | COc1ccccc1Oc1c(NS(=O)(=O)CCc2ccccc2)nc(-c2ncccn2)nc1OCCOc1ncc(Cl)cn1 |
InChIKey | RJXHHVXIVAHBHS-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 12 |
Hydrogen bond donors | 1 |
Rotatable bonds | 14 |
Molecular weight (Da) | 635.1 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
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 | 8.55 | 8.55 | 8.55 | ChEMBL |