CHEMBL367444
SMILES | COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)nc(C2CC2)nc1OCCCNS(=O)(=O)c1cccs1 |
InChIKey | AEDJOIBTFWFFLB-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 11 |
Hydrogen bond donors | 2 |
Rotatable bonds | 15 |
Molecular weight (Da) | 659.2 |
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 |
ETB | EDNRB | Rat | Endothelin | A | pKd | 8.04 | 8.04 | 8.04 | ChEMBL |
ETA | EDNRA | Rat | Endothelin | A | pKd | 6.92 | 6.92 | 6.92 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
ETB | EDNRB | Human | Endothelin | A | pIC50 | 8.4 | 8.4 | 8.4 | ChEMBL |
ETA | EDNRA | Human | Endothelin | A | pIC50 | 7.66 | 7.66 | 7.66 | ChEMBL |